SCHEMBL31428958

SCHEMBL31428958

Cc1cc(-c2ncccn2)c2cc(C(=O)O)ccc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.47
ALDH1A1 P00352 4/20 0.44
HPGD P15428 4/20 0.44
KDM4E B2RXH2 3/20 0.44
MAPT P10636 2/20 0.44
GAA P10253 2/20 0.44
HTR5A P47898 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
NPC1 O15118 5/20 0.44
RAB9A P51151 4/20 0.44
IP6K1 Q92551 3/20 0.44
IP6K3 Q96PC2 3/20 0.44
IP6K2 Q9UHH9 3/20 0.44
POLB P06746 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HSP90AA1 P07900 1/20 0.43
ESR2 Q92731 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL24976051 1.00 TDP1 (0.47) TDP1ALDH1A1HPGDKDM4EMAPT
SCHEMBL24975629 0.84 ALDH1A1 (0.52) ALDH1A1HPGDKDM4EMAPTNPC1
SCHEMBL31429002 0.84 ALDH1A1 (0.52) ALDH1A1HPGDKDM4EMAPTNPC1
SCHEMBL31428871 0.83 MMP9 (0.54) TDP1KDM4EMAPTGAAHTR5A
SCHEMBL24975615 0.83 MMP9 (0.54) TDP1KDM4EMAPTGAAHTR5A
SCHEMBL31428992 0.81 IP6K1 (0.53) TDP1ALDH1A1HPGDKDM4EMAPT
SCHEMBL31428983 0.80 ALDH1A1 (0.49) TDP1ALDH1A1HPGDKDM4EMAPT
SCHEMBL24976050 0.80 TDP1 (0.42) TDP1ALDH1A1HPGDKDM4EMAPT
SCHEMBL24976135 0.80 TDP1 (0.42) TDP1ALDH1A1HPGDMAPTHTR5A
SCHEMBL24976053 0.80 TDP1 (0.42) TDP1ALDH1A1HPGDKDM4EMAPT

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 TDP1 3630/4885ALDH1A1 2352/4885HPGD 4233/4885

“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.