SCHEMBL3045808

SCHEMBL3045808

O=C(Cl)c1cc(-c2ccccc2)no1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.64
SMN1; SMN2 Q16637 5/20 0.64
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
ALDH1A1 P00352 1/20 0.55
NPC1 O15118 7/20 0.52
NOTUM Q6P988 2/20 0.50
CYP1A2 P05177 3/20 0.48
CYP2C19 P33261 3/20 0.48
MAPT P10636 1/20 0.48
KDM4E B2RXH2 1/20 0.48
HPGD P15428 2/20 0.46
CYP2C9 P11712 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
PTPN1 P18031 2/20 0.46
USP30 Q70CQ3 1/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 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
SCHEMBL212382 0.85 RAB9A (0.68) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL28091339 0.85 RAB9A (0.68) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL4134670 0.84 NOTUM (0.54) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL8880218 0.84 RAB9A (0.66) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL368446 0.83 CYP2C9 (0.54) RAB9ASMN1; SMN2ALDH1A1NPC1CYP1A2
SCHEMBL17883944 0.83 MEN1 (0.56) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL8878902 0.83 MAPT (0.49) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL4339549 0.82 RAB9A (0.46) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL4805 0.82 RAB9A (0.69) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL3985673 0.82 RAB9A (0.64) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1

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 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240139158-A1 METHODS OF TREATING PULMONARY DISEASES AND DISORDERS PROTEOSTASIS THERAPEUTICS INC (US) 2024-05-02 US disclosed
EP-3237411-B1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR INCREASING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS INC (US) 2023-06-07 EP disclosed
EP-3237411-B1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR INCREASING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS INC (US) 2023-06-07 EP disclosed
US-20220175735-A1 METHODS OF TREATING PULMONARY DISEASES AND DISORDERS PROTEOSTASIS THERAPEUTICS INC (US) 2022-06-09 US disclosed
US-20220175735-A1 METHODS OF TREATING PULMONARY DISEASES AND DISORDERS PROTEOSTASIS THERAPEUTICS INC (US) 2022-06-09 US disclosed
CN-107207487-B Compounds, compositions and methods for increasing CFTR activity 蛋白质平衡治疗股份有限公司 2021-12-28 CN disclosed
US-11083709-B2 Compounds, compositions, and methods of increasing CFTR activity PROTEOSTASIS THERAPEUTICS, INC. (US) 2021-08-10 US disclosed
US-11083709-B2 Compounds, compositions, and methods of increasing CFTR activity PROTEOSTASIS THERAPEUTICS, INC. (US) 2021-08-10 US disclosed
US-20200360348-A1 COMPOUNDS, COMPOSITIONS, AND METHODS OF INCREASING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS, INC. 2020-11-19 US disclosed
US-20200360348-A1 COMPOUNDS, COMPOSITIONS, AND METHODS OF INCREASING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS, INC. 2020-11-19 US disclosed
WO-2004032848-A2 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-04-22 WO disclosed
CN-1040105-C Aminoketone derivatives and use thereof MITZUI TOATSU CHEMICALS INC (JP) 1998-10-07 CN disclosed
US-5602160-A MUSCLE RELAXANT MITSUI TOATSU CHEMICALS INCORPORATED (JP) 1997-02-11 US disclosed
US-5498619-A MUSCLE RELAXANTS, POLLAKIUREA CURING AGENTS AND MUSCLE SPASMS MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1996-03-12 US disclosed
EP-0414391-B1 Aminoketone derivatives and use thereof MITSUI TOATSU CHEMICALS (JP) 1995-03-15 EP disclosed
US-5338857-A Muscle relaxant MITSUI TOATSU CHEMICALS INCORPORATED (JP) 1994-08-16 US disclosed
EP-0378111-B1 Isoxazole derivatives having anti-serotonin activity, their preparation process and compositions containing them ZAMBON SPA (IT) 1994-06-01 EP disclosed
CN-1049660-A Aminoketone derivative and application thereof MITZUI TOATSU CHEMICALS INC (JP) 1991-03-06 CN disclosed
EP-0414391-A2 Aminoketone derivatives and use thereof MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-02-27 EP disclosed
US-4988691-A Analgesics, cardiovascular disorders, nervous system disorders ZAMBON GROUP S.P.A. (IT) 1991-01-29 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 (4 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-20240139158-A1 METHODS OF TREATING PULMONARY DISEASES AND DISORDERS SMPD1, ELANE, SMPD2 RAB9A 1690/4885SMN1; SMN2 1913/4885MEN1 3829/4885
US-20200360348-A1 COMPOUNDS, COMPOSITIONS, AND METHODS OF INCREASING CFTR ACTIVITY CFTR, ABCB4, SCNN1B RAB9A 840/4885SMN1; SMN2 3701/4885MEN1 4523/4885
US-11083709-B2 Compounds, compositions, and methods of increasing CFTR activity CFTR, ABCB4, SCNN1B RAB9A 840/4885SMN1; SMN2 3701/4885MEN1 4523/4885
US-20220175735-A1 METHODS OF TREATING PULMONARY DISEASES AND DISORDERS SMPD1, ELANE, SMPD2 RAB9A 1690/4885SMN1; SMN2 1913/4885MEN1 3829/4885

“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.