SCHEMBL563628

SCHEMBL563628

Nc1cc(Cl)ncc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.46
TSHR P16473 2/20 0.46
ALDH1A1 P00352 5/20 0.44
CYP3A4 P08684 2/20 0.44
PIN1 Q13526 1/20 0.42
MAPT P10636 7/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 2/20 0.41
ALOX15 P16050 1/20 0.41
LMNA P02545 2/20 0.41
MCL1 Q07820 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
DHFR P00374 1/20 0.40
AHR P35869 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 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
SCHEMBL5252473 0.80 TDP1 (0.48) TDP1TSHRALDH1A1CYP3A4MAPT
SCHEMBL57316 0.80 TSHR (0.48) TDP1TSHRALDH1A1CYP3A4MAPT
SCHEMBL29467181 0.80 TSHR (0.48) TDP1TSHRALDH1A1CYP3A4MAPT
SCHEMBL11797396 0.78 TDP1 (0.47) TDP1TSHRALDH1A1CYP3A4MAPT
SCHEMBL23612111 0.78 MAPT (0.42) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL8781226 0.77 TDP1 (0.48) TDP1TSHRALDH1A1CYP3A4PIN1
SCHEMBL17512681 0.77 TDP1 (0.46) TDP1TSHRALDH1A1CYP3A4PIN1
SCHEMBL15270693 0.77 ALDH1A1 (0.44) TDP1TSHRALDH1A1CYP3A4MAPT
SCHEMBL858456 0.77 TDP1 (0.46) TDP1TSHRALDH1A1CYP3A4MAPT
SCHEMBL381803 0.77 ALDH1A1 (0.49) TSHRALDH1A1CYP3A4PIN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103819398-B The synthetic method of the chloro-3-nitropyridine of 4-amino-2- HEBEI UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2016-05-04 CN claimed
CN-103819398-A Method for synthesizing 4-amino-2-chlorine-3-nitro pyridine UNIV HEBEI SCIENCE & TECH 2014-05-28 CN claimed
EP-4725493-A2 POLYCYCLIC COMPOUNDS FOR INHIBITING RNA HELICASE DHX33 AND USE THEREOF Shenzhen Keye Life Technologies, Co., Ltd. (CN) 2026-04-15 EP disclosed
US-20260078127-A1 HETEROBICYCLIC AMIDES AS INHIBITORS OF CD38 BOEHRINGER INGELHEIM INT (DE) 2026-03-19 US disclosed
US-12551490-B2 Heterocyclic modulators of lipid synthesis SAGIMET BIOSCIENCES INC. (US) 2026-02-17 US disclosed
EP-3902806-B1 THIENOPYRIDINONE COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2026-01-07 EP disclosed
US-12398155-B2 Thienopyridinone compounds JANSSEN PHARMACEUTICA NV (BE) 2025-08-26 US disclosed
US-12398146-B2 Heterobicyclic amides as inhibitors of CD38 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2025-08-26 US disclosed
US-12358906-B2 Urea compounds and compositions as SMARCA2/BRM ATPase inhibitors NOVARTIS AG (CH) 2025-07-15 US disclosed
WO-2025099451-A1 NEW COMPOUNDS AND METHODS Transition Bio Limited (GB) 2025-05-15 WO disclosed
US-20250136592-A1 C-LINKED INHIBITORS OF ENL/AF9 YEATS BRIDGE MEDICINES 2025-05-01 US disclosed
US-20040116466-A1 Phenyl-aza-benzimidazole compounds for modulating IgE and inhibiting cellular proliferation AVANIR PHARMACEUTICALS 2004-06-17 US disclosed
WO-2004024897-A2 PHENYL-AZA-BENZIMIDAZOLE COMPOUNDS FOR MODULATING IgE AND INHIBITING CELLULAR PROLIFERATION AVANIR PHARMACEUTICALS (US) 2004-03-25 WO disclosed
EP-1066286-A4 HETEROCYCLO-SUBSTITUTED IMIDAZOPYRAZINE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2004-02-11 EP disclosed
EP-1066286-A1 HETEROCYCLO-SUBSTITUTED IMIDAZOPYRAZINE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-01-10 EP disclosed
US-5990109-A NOVEL COMPOUNDS, METHODS OF THEIR SYNTHESIS, AND THEIR USE IN TREATING VARIOUS TYROSINE KINASE-ASSOCIATED IMMUNOLOGICAL DISORDERS, SUCH AS RHEUMATOID ARTHRITIS, MULTIPLE SCLEROSIS, GRAFT VS. HOST DISEASE, LUPUS, PSORIASIS AND ASTHMA BRISTOL-MYERS SQUIBB CO. (US) 1999-11-23 US disclosed
WO-1999045009-A1 HETEROCYCLO-SUBSTITUTED IMIDAZOPYRAZINE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-09-10 WO disclosed
US-4652565-A NEUROLEPTIC, HYPOTENSIVE, BRADYCARDIC SANDOZ LTD. (CH) 1987-03-24 US disclosed
US-4565816-A HYPOTENSIVE, BRADYCARDIAL, NEUROLEPTIC SANDOZ LTD. (CH) 1986-01-21 US disclosed
WO-1983004254-A1 PIPERAZINE DERIVATIVE COMPOUNDS, PRODUCTION METHOD THEREOF AND DRUGS CONTAINING THEM SANDOZ AG (CH) 1983-12-08 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 (6 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-12398146-B2 Heterobicyclic amides as inhibitors of CD38 CD38, PARP12, ENTPD2 TDP1 1007/4885TSHR 3250/4885ALDH1A1 361/4885
US-20260078127-A1 HETEROBICYCLIC AMIDES AS INHIBITORS OF CD38 CD38, CD22, CD79B TDP1 2127/4885TSHR 182/4885ALDH1A1 877/4885
US-12398155-B2 Thienopyridinone compounds FGFR3, FGFR1, FGFR2 TDP1 1061/4885TSHR 375/4885ALDH1A1 1260/4885
US-12358906-B2 Urea compounds and compositions as SMARCA2/BRM ATPase inhibitors SMARCC1, SMARCC2, SMARCA1 TDP1 1618/4885TSHR 3612/4885ALDH1A1 3060/4885
US-12551490-B2 Heterocyclic modulators of lipid synthesis FASN, FADS1, FADS2 TDP1 4609/4885TSHR 1369/4885ALDH1A1 540/4885
US-20250136592-A1 C-LINKED INHIBITORS OF ENL/AF9 YEATS MLLT3, MLLT1, YEATS2 TDP1 1826/4885TSHR 4121/4885ALDH1A1 1756/4885

“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.