SCHEMBL894417

SCHEMBL894417

NC(=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 1.00
CES2 O00748 1/20 0.72
CES1 P23141 1/20 0.72
TP53 P04637 1/20 0.70
PRSS1 P07477 1/20 0.69
PRSS2 P07478 1/20 0.69
PRSS3 P35030 1/20 0.69
ALDH1A1 P00352 2/20 0.68
CYP3A4 P08684 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
KMT2A Q03164 4/20 0.62
MEN1 O00255 2/20 0.62
MAPT P10636 2/20 0.62
POLB P06746 1/20 0.62
CTDSP1 Q9GZU7 1/20 0.62
LMNA P02545 1/20 0.59
KMO O15229 1/20 0.56
KDM4E B2RXH2 1/20 0.56
RXFP1 Q9HBX9 1/20 0.55

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
SCHEMBL29848105 1.00 TSHR (1.00) TSHRCES2CES1TP53PRSS1
Methane SCHEMBL28159024 0.98 TSHR (0.96) TSHRCES2CES1TP53PRSS1
Hydrochloric Acid SCHEMBL7389430 0.98 TSHR (0.96) TSHRCES2CES1TP53PRSS1
Isobutane SCHEMBL6119723 0.93 TSHR (0.87) TSHRCES2CES1TP53PRSS1
SCHEMBL28245589 0.90 TSHR (0.81) TSHRCES2CES1TP53PRSS1
Dinitrophenylene SCHEMBL27446197 0.88 TSHR (0.78) TSHRCES2CES1TP53PRSS1
SCHEMBL15054453 0.85 TSHR (0.73) TSHRCES2CES1TP53PRSS1
SCHEMBL10792177 0.85 CES2 (0.79) TSHRCES2CES1TP53PRSS1
SCHEMBL23079050 0.85 TSHR (0.73) TSHRCES2CES1TP53PRSS1
SCHEMBL195692 0.85 TSHR (0.73) TSHRCES2CES1TP53PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025131978-A1 DRUG-LINKER REAGENTS FOR CONJUGATION NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2025-06-26 WO claimed
CN-119371298-A Method for efficiently synthesizing indenone compound 南阳师范学院 2025-01-28 CN claimed
CN-111018720-B Method for preparing m-phenylenediamine 上海交通大学 2021-01-22 CN claimed
CN-111018720-A Method for preparing m-phenylenediamine 上海交通大学 2020-04-17 CN claimed
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP claimed
US-20170283347-A1 NOVEL ADAMANTANE DERIVATIVE COMPOUND AMOREPACIFIC CORPORATION (KR) 2017-10-05 US claimed
EP-3187486-A1 NOVEL ADAMANTANE DERIVATIVE COMPOUND Amorepacific Corporation (KR) 2017-07-05 EP claimed
CN-102105437-B Adamantyl diamide derivatives and uses of same LUNDBECK & CO AS H 2014-07-23 CN claimed
CN-103221384-A Benzamide derivative with anticancer activity and preparation method and application thereof ZHEJIANG HISUN PHARM CO LTD 2013-07-24 CN claimed
CN-103097352-A Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBOTT LAB 2013-05-08 CN claimed
CN-1202888-A Isoquinoline derivatives and isoquinoline combinatorial libraries TORREY PINES INST (US) 1998-12-23 CN claimed
WO-1998051307-A1 METHODS FOR TREATING INFLAMMATION, INFLAMMATORY DISEASES, ARTHRITIS AND STROKE USING pADPRT INHIBITORS OCTAMER, INC. (US) 1998-11-19 WO claimed
WO-1996022791-A9 NOVEL SYNERGISTIC COMPOSITIONS USEFUL AS ANTI-TUMOR OR ANTI-RETROVIRAL AGENTS 1996-10-03 WO claimed
WO-1996022791-A1 NOVEL SYNERGISTIC COMPOSITIONS USEFUL AS ANTI-TUMOR OR ANTI-RETROVIRAL AGENTS OCTAMER, INC. (US) 1996-08-01 WO claimed
US-5468585-A Resin composition for use in an electrophotographic toner MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1995-11-21 US claimed
WO-1995020637-A2 HYDROCARBON OIL-AQUEOUS FUEL AND ADDITIVE COMPOSITIONS MEG S.N.C. DI SCOPELLITI SOFIA & C. (IT) 1995-08-03 WO claimed
EP-0662641-A1 Resin composition for electrophotographic tone MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1995-07-12 EP claimed
EP-0345551-B1 EASILY FLOWABLE DELAYED CRYSTALLISING POLYARYLENE SULFIDE-MIXTURES BAYER AG (DE) 1993-09-08 EP claimed
EP-0275221-B1 N-(1H-INDOL-4-YL) BENZAMIDE DERIVATIVES, THEIR SALTS AND THEIR USE AS MEDICINES, AND COMPOSITION CONTAINING THEM ROUSSEL-UCLAF (FR) 1991-04-17 EP claimed
EP-0275221-A2 N-(1H-indol-4-yl) benzamide derivatives, their salts and their use as medicines, and composition containing them ROUSSEL-UCLAF (FR) 1988-07-20 EP claimed

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-20170283347-A1 NOVEL ADAMANTANE DERIVATIVE COMPOUND ADAM8, CYP17A1, ADAM10 TSHR 3845/4885CES2 1095/4885CES1 1197/4885

“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.