SCHEMBL30639971

SCHEMBL30639971

NC(=O)c1nc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
TDP1 Q9NUW8 2/20 0.47
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MERTK Q12866 1/20 0.43
KCNMA1 Q12791 2/20 0.43
HTT P42858 1/20 0.43
TXNRD1 Q16881 4/20 0.42
GSR P00390 3/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 2/20 0.39
PARP1 P09874 1/20 0.39
TSHR P16473 2/20 0.38
MAPK1 P28482 1/20 0.38
F2 P00734 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
VCAM1 P19320 1/20 0.38
MEN1 O00255 1/20 0.37

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
SCHEMBL669235 1.00 MAPT (0.50) MAPTTDP1POLBL3MBTL1MERTK
SCHEMBL29157027 0.84 MAPT (0.55) MAPTTDP1POLBL3MBTL1MERTK
SCHEMBL21436492 0.83 MAPT (0.50) MAPTTDP1POLBL3MBTL1MERTK
SCHEMBL11720345 0.79 CTSB (0.50) MAPTTDP1POLBKCNMA1HTT
SCHEMBL6836387 0.79 TSHR (0.40) MAPTTDP1POLBL3MBTL1KCNMA1
SCHEMBL11274251 0.78 VCAM1 (0.52) MAPTTDP1POLBL3MBTL1MERTK
SCHEMBL11834554 0.78 PHGDH (0.47) MAPTTDP1POLBL3MBTL1MERTK
SCHEMBL29810190 0.78 MAPT (0.59) MAPTTDP1POLBL3MBTL1MERTK
SCHEMBL27888636 0.77 MERTK (0.55) MAPTTDP1POLBL3MBTL1MERTK
SCHEMBL19580185 0.76 IKBKB (0.46) MAPTTDP1POLBL3MBTL1KCNMA1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4695256-A2 ERBB2 INHIBITORS Cogent Biosciences, Inc. (US) 2026-02-18 EP disclosed
US-20250129078-A1 ERBB2 INHIBITORS COGENT BIOSCIENCES, INC. 2025-04-24 US disclosed
WO-2024215809-A2 ERBB2 INHIBITORS COGENT BIOSCIENCES, INC. (US) 2024-10-17 WO disclosed
CN-118715216-A Nitrogen-containing heterocyclic compound, preparation method thereof and application thereof in medicine 江苏恒瑞医药股份有限公司 2024-09-27 CN disclosed
WO-2023185793-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL APPLICATION THEREOF 江苏恒瑞医药股份有限公司 2023-10-05 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 (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-20250129078-A1 ERBB2 INHIBITORS ERBB2, ERBB3, EGFR MAPT 72/4885TDP1 2988/4885POLB 2037/4885

“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.