SCHEMBL31747993

SCHEMBL31747993

O=c1cc[nH]cc1-c1nn[nH]n1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
IDO1 P14902 3/20 0.43
PBRM1 Q86U86 1/20 0.43
GAA P10253 1/20 0.43
LDHA P00338 1/20 0.43
ADH5 P11766 1/20 0.42
GPR35 Q9HC97 3/20 0.41
PTGS2 P35354 1/20 0.39
RPA1 P27694 1/20 0.38
ATM Q13315 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALOX12 P18054 1/20 0.38
KDM4C Q9H3R0 1/20 0.38

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
SCHEMBL31747841 0.69 PDK2 (0.35) ALDH1A1KMT2A
SCHEMBL29895393 0.67 ALDH1A1 (0.65) ALDH1A1MEN1KMT2AL3MBTL1IDO1
SCHEMBL31748352 0.67 ALDH1A1 (0.37) ALDH1A1KMT2A
SCHEMBL31747917 0.64 MAPT (0.44) ALDH1A1MEN1KMT2AKDM4EALOX12
SCHEMBL31748390 0.63 NOTUM (0.44) ALDH1A1KMT2A
SCHEMBL11055567 0.63 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AL3MBTL1GAA
SCHEMBL9985471 0.63 ALDH1A1 (0.62) ALDH1A1MEN1KMT2AL3MBTL1IDO1
SCHEMBL9984638 0.62 ADH5 (0.95) ALDH1A1MEN1KMT2AL3MBTL1ADH5
SCHEMBL31747996 0.62 GPR84 (0.38) ALDH1A1KMT2A
SCHEMBL31747886 0.62 AKT1 (0.42) ALDH1A1KMT2AGPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250388541-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-12-25 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 (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-20250388541-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN SCN1B, CLIC1, HCN1 ALDH1A1 832/4885MEN1 3315/4885KMT2A 3653/4885

“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.