SCHEMBL4593089

SCHEMBL4593089

O=C(Nc1ccccc1)c1c[nH]nn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
KMT2A Q03164 1/20 0.51
RAB9A P51151 5/20 0.50
NPC1 O15118 4/20 0.50
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
SMN1; SMN2 Q16637 5/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
ALOX15 P16050 1/20 0.46
CDK2 P24941 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HTT P42858 2/20 0.46
TDP1 Q9NUW8 1/20 0.45
CNR1 P21554 1/20 0.45
KDR P35968 1/20 0.45
TP53 P04637 1/20 0.45
PTPN1 P18031 1/20 0.44
USP2 O75604 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Benzenesulfonamide SCHEMBL6561832 0.87 CA1 (0.52) POLBKMT2ACDK2
SCHEMBL19100236 0.85 KDM4E (0.53) KMT2AALDH1A1KDM4EL3MBTL1HTT
SCHEMBL4752431 0.82 MEN1 (0.52) KMT2ARAB9ANPC1ALDH1A1KDM4E
SCHEMBL8662298 0.81 MEN1 (0.61) KMT2ARAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL30852801 0.78 HPGD (0.53) POLBKMT2ARAB9ANPC1ALDH1A1
SCHEMBL6816234 0.77 NAMPT (0.50) KMT2ARAB9ANPC1
SCHEMBL4751754 0.76 NPC1 (0.57) KMT2ARAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL561358 0.76 ALDH1A1 (0.46) KMT2AALDH1A1
SCHEMBL16879281 0.75 CHRNB2 (0.60) POLBKMT2AALDH1A1KDM4EL3MBTL1
SCHEMBL10912483 0.75 NPC1 (0.58) KMT2ARAB9ANPC1SMN1; SMN2HTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12010990-B2 Hydrophobic polymers as oil rheology modifiers for agrochemical formulations DOW GLOBAL TECHNOLOGIES LLC (US) 2024-06-18 US disclosed
US-20230101819-A1 SMYD Inhibitors EPIZYME INC (US) 2023-03-30 US disclosed
US-20220095613-A1 PROPYLENE OXIDE CAPPED LIQUID POLYMERIC SURFACTANTS FOR AGRICULTURAL COMPOSITIONS AND AGRICULTURAL COMPOSITIONS INCLUDING PESTICIDE DOW GLOBAL TECHNOLOGIES LLC (US) 2022-03-31 US disclosed
CN-110381737-B Methods of controlling ALS-tolerant plant growth 江苏龙灯化学有限公司 2022-03-11 CN disclosed
CN-108004235-B Soybean event SYHT0H2 and compositions and methods for detection thereof 先正达参股股份有限公司 2022-02-08 CN disclosed
CN-113453549-A Propylene oxide capped liquid polymeric surfactants for agricultural compositions and agricultural compositions including pesticides 陶氏环球技术有限责任公司 2021-09-28 CN disclosed
US-20210198252-A1 SMYD INHIBITORS EPIZYME INC (US) 2021-07-01 US disclosed
CN-111372453-A Hydrophobic polymers as oil rheology modifiers for agrochemical formulations 陶氏环球技术有限责任公司 2020-07-03 CN disclosed
US-20190322660-A1 SMYD INHIBITORS Epizyme, Inc. 2019-10-24 US disclosed
US-10266526-B2 Substituted 1,2,3-triazoles as SMYD inhibitors for treating cancer Epizyme, Inc. (US) 2019-04-23 US disclosed
US-20170355695-A1 SMYD Inhibitors Epizyme, Inc. (US) 2017-12-14 US disclosed
EP-1910316-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AND THEIR USE AS NEUROKININ 3 RECEPTOR ANTAGONISTS F. Hoffmann-Roche AG (CH) 2008-04-16 EP disclosed
WO-2007012579-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AND THEIR USE AS NEUROKININ 3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-02-01 WO disclosed
US-6967212-B2 Substituted azole acid derivatives useful as antidiabetic and antiobesity agents and method BRISTOL-MYERS SQUIBB COMPANY (US) 2005-11-22 US disclosed
US-20050124661-A1 Substituted azole acid derivatives useful as antidiabetic and antiobesity agents and method CHENG PETER T (US) 2005-06-09 US disclosed
EP-1390363-A2 SUBSTITUTED AZOLE ACID DERIVATIVES USEFUL AS ANTIDIABETIC AND ANTIOBESITY AGENTS AND METHOD Bristol-Myers Squibb Company (US) 2004-02-25 EP disclosed
US-20030158232-A1 Substituted azole acid derivatives useful as antidiabetic and antiobesity agents and method BRISTOL-MYERS SQUIBB COMPANY 2003-08-21 US disclosed
US-20030092736-A1 Substituted azole acid derivatives useful as antidiabetic and antiobesity agents and method BRISTOL-MYERS SQUIBB COMPANY 2003-05-15 US disclosed
WO-2002096358-A2 SUBSTITUTED AZOLE ACID DERIVATIVES USEFUL AS ANTIDIABETIC AND ANTIOBESITY AGENTS AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2002-12-05 WO disclosed
US-5990043-A COMPRISES AT LEAST ONE INSECTICIDE SELECTED FROM TRIFLUMURON, FLUFENOXURON, FLUCYCLOXURON, HEXAFLUMURON, AND OTHERS; A CARRIER AND BINDER; PROTECTS ITEMS SUCH AS SHIP HULLS IN BRACKISH OR SEAWATER FROM BARNICLE INFESTATIONS BAYER AKTIENGESELLSCHAFT (DE) 1999-11-23 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-12010990-B2 Hydrophobic polymers as oil rheology modifiers for agrochemical formulations DDT, NAPEPLD, LIPA POLB 3413/4885KMT2A 2947/4885RAB9A 3863/4885
US-20030158232-A1 Substituted azole acid derivatives useful as antidiabetic and antiobesity agents and method GPR119, PPARA, PPARG POLB 3598/4885KMT2A 1491/4885RAB9A 1545/4885
US-20030092736-A1 Substituted azole acid derivatives useful as antidiabetic and antiobesity agents and method GPR119, PPARA, PPARG POLB 3598/4885KMT2A 1491/4885RAB9A 1545/4885
US-10266526-B2 Substituted 1,2,3-triazoles as SMYD inhibitors for treating cancer SMYD3, SMYD2, SNRPD3 POLB 4315/4885KMT2A 360/4885RAB9A 1388/4885
US-20170355695-A1 SMYD Inhibitors SMYD3, SMYD2, SMURF2 POLB 4153/4885KMT2A 348/4885RAB9A 893/4885
US-20210198252-A1 SMYD INHIBITORS SMYD3, SMYD2, SMURF2 POLB 4132/4885KMT2A 355/4885RAB9A 890/4885
US-20190322660-A1 SMYD INHIBITORS SMYD2, SMYD3, SMURF2 POLB 4325/4885KMT2A 420/4885RAB9A 736/4885
US-20050124661-A1 Substituted azole acid derivatives useful as antidiabetic and antiobesity agents and method GPR119, PPARA, PPARG POLB 1611/4885KMT2A 1144/4885RAB9A 2588/4885
US-20230101819-A1 SMYD Inhibitors SMYD3, SMYD2, SMURF2 POLB 4195/4885KMT2A 364/4885RAB9A 914/4885
US-20220095613-A1 PROPYLENE OXIDE CAPPED LIQUID POLYMERIC SURFACTANTS FOR AGRICULTURAL COMPOSITIONS AND AGRICULTURAL COMPOSITIONS INCLUDING PESTICIDE PAOX, PHOSPHO1, NAPEPLD POLB 981/4885KMT2A 4167/4885RAB9A 4491/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.