SCHEMBL3287960

SCHEMBL3287960

Cn1cc([N+](=O)[O-])nc1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
MITF O75030 1/20 0.39
PKM P14618 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
KMT2A Q03164 2/20 0.37
CYP2C19 P33261 1/20 0.35
F2 P00734 1/20 0.34
PLAU P00749 1/20 0.34
KLKB1 P03952 1/20 0.34
ELANE P08246 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SOS1 Q07889 1/20 0.34
LMNA P02545 1/20 0.33

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
Lithium SCHEMBL30668131 0.98 ALDH1A1 (0.40) ALDH1A1MITFPKML3MBTL1KMT2A
SCHEMBL9385677 0.84 ALDH1A1 (0.40) ALDH1A1MITFPKML3MBTL1KMT2A
SCHEMBL30668083 0.84 ALDH1A1 (0.40) ALDH1A1MITFPKML3MBTL1KMT2A
SCHEMBL5313447 0.81 MITF (0.40) ALDH1A1MITFPKML3MBTL1KMT2A
SCHEMBL5231541 0.80 ALDH1A1 (0.37) ALDH1A1MITFPKML3MBTL1KMT2A
SCHEMBL2445825 0.78 ALDH1A1 (0.61) ALDH1A1MITFPKML3MBTL1KMT2A
SCHEMBL9385579 0.78 ALDH1A1 (0.36) ALDH1A1MITFPKML3MBTL1KMT2A
SCHEMBL1594419 0.78 MITF (0.52) ALDH1A1MITFPKML3MBTL1KMT2A
SCHEMBL12307516 0.77 AR (0.36) ALDH1A1MITFPKML3MBTL1KMT2A
Hydrochloric Acid SCHEMBL5741754 0.77 MITF (0.51) ALDH1A1MITFPKML3MBTL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116120238-B Preparation method of imidazole derivative 山东梅奥华卫科技有限公司 2023-09-22 CN claimed
CN-116120238-A Preparation method of imidazole derivative 山东梅奥华卫科技有限公司 2023-05-16 CN claimed
CN-116120238-B Preparation method of imidazole derivative 山东梅奥华卫科技有限公司 2023-09-22 CN disclosed
CN-116120238-B Preparation method of imidazole derivative 山东梅奥华卫科技有限公司 2023-09-22 CN disclosed
CN-116120238-A Preparation method of imidazole derivative 山东梅奥华卫科技有限公司 2023-05-16 CN disclosed
CN-116120238-A Preparation method of imidazole derivative 山东梅奥华卫科技有限公司 2023-05-16 CN disclosed
US-8524899-B2 Oligopeptide containing fused 6-membered ring forming complexes with double stranded dna; complexes can be used for identification of specific dsDNA sequences, inhibiting gene transcription, therapeutic for inhibiting proliferation of undesired cells or modulation of expression of specific gene CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2013-09-03 US disclosed
EP-1599474-B1 Heterocyclic oligomeric compounds for DNA recognition CALIFORNIA INST OF TECHN (US) 2013-04-24 EP disclosed
CN-101128455-B Heterocyclylamide-substituted imidazoles AICURIS GMBH & CO KG 2013-01-16 CN disclosed
EP-2530078-A1 THIAZOLE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2012-12-05 EP disclosed
US-7713701-B2 DNA-binding polymers CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2010-05-11 US disclosed
EP-1469856-A2 8-HETEROARYL XANTHINE ADENOSINE A SB 2B /SB RECEPTOR ANTAGONISTS King Pharmaceuticals Research and Development Inc. (US) 2004-10-27 EP disclosed
WO-2004078943-A2 ALTERNATIVE HETEROCYCLES FOR DNA RECOGNITION CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2004-09-16 WO disclosed
US-20030207879-A1 8-Heteroaryl xanthine adenosine A2B receptor antagonists KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2003-11-06 US disclosed
CN-1439006-A Novel compounds possessing antibacterial, antifungal or antitumor activity GENELABS TECH INC (US) 2003-08-27 CN disclosed
WO-2003063800-A2 8-HETEROARYL XANTHINE ADENOSINE A2B RECEPTOR ANTAGONISTS KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2003-08-07 WO disclosed
EP-0885189-A2 METHOD FOR THE SYNTHESIS OF POLY-PYRROLE AND POLY-IMIDAZOLE CARBOXAMIDES ON A SOLID SUPPORT CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1998-12-23 EP disclosed
WO-1997030975-A2 METHOD FOR THE SYNTHESIS OF POLY-PYRROLE AND POLY-IMIDAZOLE CARBOXAMIDES ON A SOLID SUPPORT CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1997-08-28 WO disclosed
WO-1994003434-A1 IMIDAZOLE-CONTAINING ANALOGS OF DISTAMYCIN RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1994-02-17 WO disclosed
US-5273991-A Anticarcinogenic agents RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1993-12-28 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 (1 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-20030207879-A1 8-Heteroaryl xanthine adenosine A2B receptor antagonists ADORA2B, ADORA2A, ADORA1 ALDH1A1 251/4885MITF 2336/4885PKM 3668/4885

“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.