Sugi Predict

Sugi Predict / Compounds / SCHEMBL1509524

SCHEMBL1509524

SCHEMBL1509524

Cc1cc(C#N)cc([N+](=O)[O-])c1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 3/20 0.56
▸ GRIN2D O15399 1/20 0.45
▸ GRIN3B O60391 1/20 0.45
▸ GRIN1 Q05586 1/20 0.45
▸ GRIN2A Q12879 1/20 0.45
▸ GRIN2B Q13224 1/20 0.45
▸ GRIN2C Q14957 1/20 0.45
▸ GRIN3A Q8TCU5 1/20 0.45
▸ MAPT P10636 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ CYP3A4 P08684 3/20 0.43
▸ TSHR P16473 2/20 0.43
▸ RECQL P46063 1/20 0.43
▸ MTOR P42345 1/20 0.41
▸ PLK1 P53350 1/20 0.41
▸ KAT2B Q92831 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ HPGD P15428 1/20 0.39

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
SCHEMBL8409766 0.87 VCAM1 (0.66) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL22636866 0.83 VCAM1 (0.56) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8409874 0.82 VCAM1 (0.59) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7886443 0.81 VCAM1 (0.58) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL8412969 0.81 VCAM1 (0.58) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4639178 0.80 VCAM1 (0.66) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL25186726 0.79 VCAM1 (0.56) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1736238 0.79 GPR35 (0.59) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL18299784 0.79 VCAM1 (0.56) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL16387399 0.79 VCAM1 (0.66) VCAM1GRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025101780-A1 PHARMACOLOGICAL CORRECTORS OF RHODOPSIN AND USES THEREOF OCTANT, INC. (US) 2025-05-15 — — WO disclosed
US-20230066771-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC (US) 2023-03-02 — — US disclosed
WO-2022135365-A1 DISUBSTITUTED CYCLOPENTANE KINASE INHIBITORS ANRUI BIOMEDICAL TECHNOLOGY (GUANGZHOU) CO., LTD. (CN) 2022-06-30 — — WO disclosed
US-20210130293-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC (US) 2021-05-06 — — US disclosed
CN-107820494-B Nuclear receptor modulators 艾伯维公司 2020-10-16 — — CN disclosed
EP-3636643-A1 NUCLEAR RECEPTOR MODULATORS (ROR) FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES AbbVie Inc. (US) 2020-04-15 — — EP disclosed
US-20190055196-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC (US) 2019-02-21 — — US disclosed
US-10106501-B2 Nuclear receptor modulators ABBVIE INC. (US) 2018-10-23 — — US disclosed
EP-3307734-A1 NUCLEAR RECEPTOR MODULATORS AbbVie Inc. (US) 2018-04-18 — — EP disclosed
WO-2016198908-A1 ROR NUCLEAR RECEPTOR MODULATORS ABBVIE INC. (US) 2016-12-15 — — WO disclosed
EP-1545543-A2 NOVEL TYROSINE KINASES INHIBITORS Bristol-Myers Squibb Company (US) 2005-06-29 — — EP disclosed
WO-2005021510-A2 BENZIMIDAZOLE C-2 HETEROCYCLES AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-03-10 — — WO disclosed
US-20050054655-A1 Benzimidazole C-2 heterocycles as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-03-10 — — US disclosed
CN-1514833-A Novel tyrosine kinase inhibitors ����˹�ж�-����˹˹������˾ 2004-07-21 — — CN disclosed
US-20040092514-A1 Novel tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-05-13 — — US disclosed
WO-2004031401-A2 NOVEL TYROSINE KINASES INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-04-15 — — WO disclosed
WO-2004030620-A2 NOVEL TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-04-15 — — WO disclosed
US-20040044203-A1 Novel tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-03-04 — — US disclosed
EP-1381598-A1 NOVEL TYROSINE KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2004-01-21 — — EP disclosed
WO-2002079192-A1 NOVEL TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-10-10 — — WO 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 (7 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-20050054655-A1 Benzimidazole C-2 heterocycles as kinase inhibitors CDK2, ERBB2, ABL1 VCAM1 4188/4885GRIN2D 3944/4885GRIN3B 3922/4885
US-10106501-B2 Nuclear receptor modulators NR1I2, NR1H2, NR5A2 VCAM1 2218/4885GRIN2D 2132/4885GRIN3B 764/4885
US-20040044203-A1 Novel tyrosine kinase inhibitors ABL1, YES1, FER VCAM1 1976/4885GRIN2D 4495/4885GRIN3B 3329/4885
US-20210130293-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 VCAM1 2218/4885GRIN2D 2132/4885GRIN3B 764/4885
US-20040092514-A1 Novel tyrosine kinase inhibitors ABL1, ERBB2, ROS1 VCAM1 1111/4885GRIN2D 4407/4885GRIN3B 3665/4885
US-20230066771-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 VCAM1 2218/4885GRIN2D 2132/4885GRIN3B 764/4885
US-20190055196-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 VCAM1 2218/4885GRIN2D 2132/4885GRIN3B 764/4885

“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.