SCHEMBL31428992

SCHEMBL31428992

Cc1cc(-c2ccc(-c3ccccc3)cc2)c2cc(C(=O)O)ccc2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 5/20 0.53
IP6K3 Q96PC2 5/20 0.53
IP6K2 Q9UHH9 5/20 0.53
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 3/20 0.50
GAA P10253 2/20 0.50
HPGD P15428 2/20 0.50
RAB9A P51151 2/20 0.50
TP53 P04637 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MAPT P10636 3/20 0.47
LMNA P02545 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46

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
SCHEMBL31429025 0.92 IP6K1 (0.55) IP6K1IP6K3IP6K2ALDH1A1KDM4E
SCHEMBL24975611 0.92 IP6K1 (0.55) IP6K1IP6K3IP6K2ALDH1A1KDM4E
SCHEMBL31428983 0.90 ALDH1A1 (0.49) IP6K1IP6K3IP6K2ALDH1A1KDM4E
SCHEMBL31428985 0.88 CTRC (0.50) IP6K1IP6K3IP6K2ALDH1A1KDM4E
SCHEMBL24976116 0.88 CTRC (0.50) IP6K1IP6K3IP6K2ALDH1A1KDM4E
SCHEMBL4059859 0.85 MAPT (0.49) ALDH1A1KDM4ENPC1HPGDRAB9A
SCHEMBL24975803 0.84 NPC1 (0.56) ALDH1A1KDM4ENPC1GAARAB9A
SCHEMBL31428675 0.84 NPC1 (0.56) ALDH1A1KDM4ENPC1GAARAB9A
SCHEMBL24975485 0.83 ABCG2 (0.47) ALDH1A1KDM4ENPC1GAATP53
SCHEMBL31428518 0.83 ABCG2 (0.47) ALDH1A1KDM4ENPC1GAATP53

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-20250091994-A1 RAS/RAF BINDING INHIBITOR COMPOUND NATIONAL UNIVERSITY CORPORATION KOBE UNIVERSITY (JP) 2025-03-20 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-20250091994-A1 RAS/RAF BINDING INHIBITOR COMPOUND BRAF, RAF1, NRAS IP6K1 1834/4885IP6K3 2089/4885IP6K2 2211/4885

“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.