SCHEMBL175271

SCHEMBL175271

O=C(O)N(c1ccccc1)[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.44
CRHBP P24387 3/20 0.44
CRHR2 Q13324 3/20 0.44
ATM Q13315 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
TLR9 Q9NR96 2/20 0.44
NPSR1 Q6W5P4 3/20 0.43
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
RAB9A P51151 2/20 0.38
HTT P42858 2/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
GLA P06280 1/20 0.36
TSHR P16473 1/20 0.36
S1PR4 O95977 1/20 0.36

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
SCHEMBL28950933 0.87 NPSR1 (0.48) ALDH1A1CRHBPCRHR2ATML3MBTL1
SCHEMBL4373512 0.83 ALDH1A1 (0.41) ALDH1A1CRHBPCRHR2ATML3MBTL1
SCHEMBL6825300 0.83 ATM (0.42) ALDH1A1CRHBPCRHR2ATML3MBTL1
SCHEMBL4737917 0.83 ALDH1A1 (0.41) ALDH1A1CRHBPCRHR2ATML3MBTL1
SCHEMBL8925970 0.83 ALDH1A1 (0.41) ALDH1A1CRHBPCRHR2ATML3MBTL1
SCHEMBL30940203 0.82 ALDH1A1 (0.46) ALDH1A1CRHBPCRHR2ATML3MBTL1
SCHEMBL5143722 0.80 ALDH1A1 (0.40) ALDH1A1CRHBPCRHR2ATML3MBTL1
SCHEMBL5143721 0.80 ALDH1A1 (0.40) ALDH1A1CRHBPCRHR2ATML3MBTL1
SCHEMBL16236160 0.80 ALDH1A1 (0.45) ALDH1A1CRHBPCRHR2ATML3MBTL1
Indoline SCHEMBL15618312 0.79 DRD2 (0.36) ALDH1A1ATMKMT2AMEN1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1334102-A1 BOMBESIN RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2003-08-13 EP claimed
WO-2002040475-A1 BOMBESIN RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY LLC (US) 2002-05-23 WO claimed
WO-2000069878-A1 UNIVERSAL SOLID SUPPORTS SUITABLE FOR THE SYNTHESIS OF NUCLEIC ACIDS NGO NAM Q (US) 2000-11-23 WO claimed
CN-1041923-C Piperazine derivatives FUJISAWA PHARMACEUTICAL CO (JP) 1999-02-03 CN claimed
US-5059002-A N-nitrophenyl carbamyl compounds MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1991-10-22 US claimed
EP-0434379-A1 Second harmonic generation with archiral, straight-chain carbamic acid derivatives MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1991-06-26 EP claimed
EP-4320073-A1 BIOORTHOGONAL REACTION SUITABLE FOR CLICK/UNCLICK APPLICATIONS Dana-Farber Cancer Institute, Inc. (US) 2024-02-14 EP disclosed
US-11597727-B2 Inhibitors of integrin alpha 2 beta 1 and methods of use THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-03-07 US disclosed
US-20210387986-A1 INHIBITORS OF INTEGRIN ALPHA 2 BETA 1 AND METHODS OF USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-12-16 US disclosed
EP-3154997-B9 AURISTATIN DERIVATIVES AND CONJUGATES THEREOF NOVARTIS AG (CH) 2021-04-14 EP disclosed
EP-3765005-A1 INHIBITORS OF INTEGRIN ALPHA 2 BETA 1 AND METHODS OF USE The Regents of the University of California (US) 2021-01-20 EP disclosed
CN-112105350-A Inhibitors of integrin alpha 2 beta 1 and methods of use 加利福尼亚大学董事会 2020-12-18 CN disclosed
EP-3154997-B1 AURISTATIN DERIVATIVES AND CONJUGATES THEREOF NOVARTIS AG (CH) 2020-02-19 EP disclosed
EP-0755269-A1 CONTRAST AGENTS NYCOMED SALUTAR, INC. (US) 1997-01-29 EP disclosed
EP-0749452-A1 POLYMER-CONJUGATED MALONIC ACID DERIVATIVES AND THEIR USE AS MEDICAMENTS AND DIAGNOSTIC AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1996-12-27 EP disclosed
WO-1995028967-A1 CONTRAST AGENTS NYCOMED SALUTAR INC (US) 1995-11-02 WO disclosed
WO-1995024437-A1 POLYMER-CONJUGATED MALONIC ACID DERIVATIVES AND THEIR USE AS MEDICAMENTS AND DIAGNOSTIC AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1995-09-14 WO disclosed
US-5382637-A Solid state chain extension polymerization between Lewis acid oligomers and deblocked Lewis bases INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1995-01-17 US disclosed
US-5059002-A N-nitrophenyl carbamyl compounds MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1991-10-22 US disclosed
EP-0434379-A1 Second harmonic generation with archiral, straight-chain carbamic acid derivatives MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1991-06-26 EP 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 (2 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-11597727-B2 Inhibitors of integrin alpha 2 beta 1 and methods of use ITGB1, ITGB2, ITGA2 ALDH1A1 382/4885CRHBP 4557/4885CRHR2 4097/4885
US-20210387986-A1 INHIBITORS OF INTEGRIN ALPHA 2 BETA 1 AND METHODS OF USE ITGB1, ITGB2, ITGA2 ALDH1A1 382/4885CRHBP 4557/4885CRHR2 4097/4885

“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.