SCHEMBL1094136

SCHEMBL1094136

Cc1cc([N+](=O)[O-])ccc1C(N)=O

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.65
ALDH1A1 P00352 9/20 0.59
CYP3A4 P08684 5/20 0.59
TDP1 Q9NUW8 4/20 0.59
TSHR P16473 4/20 0.58
ALOX15 P16050 1/20 0.53
RAB9A P51151 1/20 0.52
LMNA P02545 2/20 0.51
GAA P10253 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
POLB P06746 2/20 0.50
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL13844164 0.86 KMT2A (0.60) KMT2AALDH1A1CYP3A4TDP1TSHR
SCHEMBL4437870 0.86 KMT2A (0.60) KMT2AALDH1A1CYP3A4TDP1TSHR
SCHEMBL27909691 0.85 ALDH1A1 (0.62) KMT2AALDH1A1CYP3A4TDP1TSHR
SCHEMBL10967272 0.84 ALDH1A1 (0.58) KMT2AALDH1A1CYP3A4TDP1TSHR
SCHEMBL28204491 0.84 ALDH1A1 (0.58) KMT2AALDH1A1CYP3A4TDP1TSHR
SCHEMBL30539159 0.84 ALDH1A1 (0.60) KMT2AALDH1A1CYP3A4TDP1TSHR
SCHEMBL33664 0.84 ALDH1A1 (0.64) KMT2AALDH1A1CYP3A4TDP1TSHR
SCHEMBL836536 0.84 ALDH1A1 (0.60) KMT2AALDH1A1CYP3A4TDP1TSHR
SCHEMBL2371651 0.84 ALDH1A1 (0.64) KMT2AALDH1A1CYP3A4TDP1TSHR
SCHEMBL6398309 0.83 KMT2A (0.71) KMT2AALDH1A1CYP3A4TDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117098750-A Molecules having pesticidal utility, and intermediates and methods related thereto 科迪华农业科技有限责任公司 2023-11-21 CN disclosed
CN-112299938-B Method for preparing amine compound by reducing amide compound 中国科学院兰州化学物理研究所 2021-12-28 CN disclosed
US-20210253547-A1 BETA- AND GAMMA-AMINO-ISOQUINOLINE AMIDE COMPOUNDS AND SUBSTITUTED BENZAMIDE COMPOUNDS ALCON INC. (CH) 2021-08-19 US disclosed
US-20210253547-A1 BETA- AND GAMMA-AMINO-ISOQUINOLINE AMIDE COMPOUNDS AND SUBSTITUTED BENZAMIDE COMPOUNDS ALCON INC. (CH) 2021-08-19 US disclosed
US-11021456-B2 Beta- and gamma-amino-isoquinoline amide compounds and substituted benzamide compounds AERIE PHARMACEUTICALS, INC. (US) 2021-06-01 US disclosed
US-11021456-B2 Beta- and gamma-amino-isoquinoline amide compounds and substituted benzamide compounds AERIE PHARMACEUTICALS, INC. (US) 2021-06-01 US disclosed
US-10882840-B2 Beta- and gamma-amino-isoquinoline amide compounds and substituted benzamide compounds AERIE PHARMACEUTICALS, INC. (US) 2021-01-05 US disclosed
US-10882840-B2 Beta- and gamma-amino-isoquinoline amide compounds and substituted benzamide compounds AERIE PHARMACEUTICALS, INC. (US) 2021-01-05 US disclosed
EP-2853532-B1 1,2,4-oxadiazole derivatives as allosteric modulators of metabotropic glutamate receptors belonging to group III INST FARMAKOLOGII POLSKIEJ AKADEMII NAUK (PL) 2020-12-09 EP disclosed
US-20200223818-A1 BETA- AND GAMMA-AMINO-ISOQUINOLINE AMIDE COMPOUNDS AND SUBSTITUTED BENZAMIDE COMPOUNDS ALCON INC. (CH) 2020-07-16 US disclosed
US-6197803-B1 VIRICIDES; PREVENTION REPRODUCTION AMERICAN HOME PRODUCTS CORPORATION 2001-03-06 US disclosed
US-6166028-A Diaminopuridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION (US) 2000-12-26 US disclosed
WO-2000034238-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034260-A2 ALPHA-METHYLBENZYL-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034269-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034268-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034261-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A SUBSTITUTED PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034237-A2 ACETAMIDE AND SUBSTITUTED ACETAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034258-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
US-4699915-A ANTIULCER, ANTISECRETORY AGENTS ISTITUTO DE ANGELI S.P.A. (IT) 1987-10-13 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-10882840-B2 Beta- and gamma-amino-isoquinoline amide compounds and substituted benzamide compounds PRKCQ, UACA, BCAT2 KMT2A 1186/4885ALDH1A1 1626/4885CYP3A4 3352/4885
US-20200223818-A1 BETA- AND GAMMA-AMINO-ISOQUINOLINE AMIDE COMPOUNDS AND SUBSTITUTED BENZAMIDE COMPOUNDS PRKCQ, UACA, BCAT2 KMT2A 1186/4885ALDH1A1 1626/4885CYP3A4 3352/4885
US-20210253547-A1 BETA- AND GAMMA-AMINO-ISOQUINOLINE AMIDE COMPOUNDS AND SUBSTITUTED BENZAMIDE COMPOUNDS PRKCQ, UACA, BCAT2 KMT2A 1186/4885ALDH1A1 1626/4885CYP3A4 3352/4885
US-11021456-B2 Beta- and gamma-amino-isoquinoline amide compounds and substituted benzamide compounds PRKCQ, UACA, BCAT2 KMT2A 1186/4885ALDH1A1 1626/4885CYP3A4 3352/4885

“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.