SCHEMBL2004531

SCHEMBL2004531

NC(=O)c1ncc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 1/20 0.39
PARP1 P09874 1/20 0.38
ERN1 O75460 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
CYP3A4 P08684 3/20 0.37
KCNMA1 Q12791 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 2/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
GPR35 Q9HC97 1/20 0.35

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
Butyramide SCHEMBL27747519 0.88 FBP1 (0.36) ALDH1A1LMNACYP1A2CYP2C19SMN1; SMN2
SCHEMBL10321979 0.85 GPR35 (0.41) ALDH1A1LMNACYP1A2CYP2C19ERN1
SCHEMBL29060291 0.83 KDM4E (0.44) ALDH1A1LMNACYP1A2CYP2C19ERN1
SCHEMBL28417466 0.81 GSK3B (0.39) ALDH1A1LMNACYP1A2CYP2C19ERN1
SCHEMBL29060088 0.81 MAPT (0.42) ALDH1A1LMNACYP1A2CYP2C19SMN1; SMN2
SCHEMBL25186795 0.79 CYP1A2 (0.38) ALDH1A1LMNACYP1A2CYP2C19ERN1
SCHEMBL30418856 0.79 CYP1A2 (0.38) ALDH1A1LMNACYP1A2CYP2C19ERN1
SCHEMBL27986105 0.79 TSHR (0.49) ALDH1A1LMNAPARP1SMN1; SMN2CYP3A4
SCHEMBL15900437 0.76 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP2C19SMN1; SMN2CYP3A4
SCHEMBL28736319 0.76 MAPT (0.37) ALDH1A1LMNACYP1A2CYP2C19ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115677689-B Polysubstituted benzene PD-L1 inhibitor, composition and application thereof 杭州和正医药有限公司 2024-10-22 CN disclosed
CN-115677689-A Polysubstituted benzene PD-L1 inhibitor, composition and application thereof 杭州和正医药有限公司 2023-02-03 CN disclosed
WO-2023006019-A1 POLYSUBSTITUTED BENZENE PD-L1 INHIBITOR, COMPOSITION AND USE THEREOF 杭州和正医药有限公司 2023-02-02 WO disclosed
US-7960394-B2 3,8-dimethyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-4(3H)-quinazolinone; 6-chloro-3-methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]pyrido[3,4-d]-pyrimidin-4(3H)-one; 2-[4-(1-cyclopentyl-4-piperidinyloxy)phenyl]-3-methylpyrido[2,3-d]-pyrimidin-4(3H)-one; treats metabolic, nervous system, vascular disorders BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-06-14 US disclosed
US-20080275069-A1 Quinazoline Derivative MSD K.K. (JP) 2008-11-06 US disclosed
CN-1960977-A Quinazoline derivative BANYU PHARMA CO LTD (JP) 2007-05-09 CN disclosed
EP-1757594-A1 QUINAZOLINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-02-28 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 (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-20080275069-A1 Quinazoline Derivative HRH3, HRH4, HRH2 ALDH1A1 2782/4885LMNA 4491/4885CYP1A2 1037/4885

“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.