SCHEMBL31366256

SCHEMBL31366256

Cc1nc(C(=O)O)ncc1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
HPGD P15428 1/20 0.37
KMO O15229 3/20 0.35
KDM4E B2RXH2 4/20 0.34
HCAR2 Q8TDS4 2/20 0.34
ALDH1A1 P00352 2/20 0.34
PKM P14618 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
PTGFR P43088 1/20 0.33
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32

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
SCHEMBL2038871 1.00 KMT2A (0.38) KMT2ANPC1RAB9AHPGDKMO
SCHEMBL30326005 0.84 RAB9A (0.38) KMT2ANPC1RAB9AHPGDALDH1A1
SCHEMBL22256745 0.82 NPC1 (0.40) KMT2ANPC1RAB9AALDH1A1MAPK1
SCHEMBL30326198 0.79 CYP4F2 (0.39) KMT2ANPC1RAB9AHPGDKDM4E
SCHEMBL20517447 0.79 NPC1 (0.41) KMT2ANPC1RAB9AHPGDKDM4E
SCHEMBL30600870 0.79 NPC1 (0.41) KMT2ANPC1RAB9AHPGDKDM4E
SCHEMBL20517639 0.79 ALDH1A1 (0.36) KMT2ANPC1RAB9AHPGDKDM4E
SCHEMBL18420384 0.79 CYP4F2 (0.39) KMT2ANPC1RAB9AHPGDKDM4E
SCHEMBL30600776 0.79 ALDH1A1 (0.36) KMT2ANPC1RAB9AHPGDKDM4E
SCHEMBL2790057 0.79 HPGD (0.39) KMT2AHPGDKMOKDM4EHCAR2

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-12377083-B2 Lysophosphatidic acid receptor antagonist and preparation method therefor WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2025-08-05 US disclosed
US-20240425478-A1 CYCLOPENTYLPYRAZOLE CDK2 INHIBITORS GENENTECH INC (US) 2024-12-26 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-20240425478-A1 CYCLOPENTYLPYRAZOLE CDK2 INHIBITORS CDK2, CCNI, CDK20 KMT2A 1404/4885NPC1 3187/4885RAB9A 2194/4885
US-12377083-B2 Lysophosphatidic acid receptor antagonist and preparation method therefor LPAR1, LPAR2, LPAR4 KMT2A 1702/4885NPC1 520/4885RAB9A 1177/4885

“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.