SCHEMBL25873407

SCHEMBL25873407

Cc1nccc(Oc2ccc([N+](=O)[O-])cc2)c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.50
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
RXFP1 Q9HBX9 1/20 0.48
PDGFRA P16234 1/20 0.46
KDR P35968 1/20 0.46
HSPB1 P04792 4/20 0.46
ATM Q13315 1/20 0.45
RAB9A P51151 2/20 0.43
LMNA P02545 1/20 0.43
RECQL P46063 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ACHE P22303 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
MAPT P10636 3/20 0.41

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
SCHEMBL14540961 0.85 HTT (0.48) HTTMEN1KMT2ARXFP1PDGFRA
SCHEMBL20818065 0.82 MEN1 (0.51) HTTMEN1KMT2ARXFP1HSPB1
SCHEMBL28934125 0.79 KMT2A (0.56) MEN1KMT2ARAB9ALMNASMN1; SMN2
SCHEMBL557790 0.76 PDGFRA (0.61) HTTMEN1KMT2ARXFP1PDGFRA
SCHEMBL25873577 0.76 HTT (0.48) HTTMEN1KMT2ARXFP1PDGFRA
SCHEMBL13998782 0.76 HTT (0.50) HTTMEN1KMT2ARXFP1PDGFRA
SCHEMBL25873402 0.76 MEN1 (0.47) MEN1KMT2ARAB9ASMN1; SMN2MAPT
SCHEMBL7997563 0.75 PTGS1 (0.43) HTTLMNASMN1; SMN2MAPT
SCHEMBL1979596 0.75 HSPB1 (0.53) HTTMEN1KMT2ARXFP1HSPB1
SCHEMBL18937100 0.75 HTT (0.52) HTTMEN1KMT2ARXFP1PDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230374024-A1 Compounds for the Treatment of Kinase-Dependent Disorders EXELIXIS, INC. 2023-11-23 US disclosed
US-11708367-B2 Compounds for the treatment of kinase-dependent disorders EXELIXIS, INC. (US) 2023-07-25 US 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-11708367-B2 Compounds for the treatment of kinase-dependent disorders ERBB2, ERBB3, MAP3K6 HTT 3512/4885MEN1 1849/4885KMT2A 1670/4885
US-20230374024-A1 Compounds for the Treatment of Kinase-Dependent Disorders ERBB2, ERBB3, MAP3K6 HTT 3512/4885MEN1 1849/4885KMT2A 1670/4885

“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.