SCHEMBL442625

SCHEMBL442625

Cc1ccccc1NC(C(N)=O)c1ccccc1C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
ALDH1A1 P00352 4/20 0.44
HPGD P15428 4/20 0.44
GAA P10253 3/20 0.43
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 2/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CXCL8 P10145 1/20 0.39
HTT P42858 1/20 0.39
ALOX12 P18054 1/20 0.39

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
SCHEMBL442624 0.81 ALDH1A1 (0.52) NPC1RAB9AALDH1A1GAATDP1
SCHEMBL11256419 0.81 ALDH1A1 (0.49) POLBNPC1RAB9AALDH1A1HPGD
SCHEMBL5968639 0.77 POLB (0.50) POLBNPC1RAB9AALDH1A1HPGD
SCHEMBL410966 0.77 HSD17B10 (0.44) ALDH1A1GAAMAPTMAPK1HSD17B10
SCHEMBL11206858 0.76 CLCN2 (0.42) POLBNPC1RAB9AALDH1A1HPGD
SCHEMBL7996778 0.74 ALDH1A1 (0.52) ALDH1A1HPGDGAATDP1MEN1
SCHEMBL29388433 0.74 ALDH1A1 (0.50) POLBNPC1RAB9AALDH1A1HPGD
SCHEMBL2483409 0.72 RAB9A (0.48) POLBNPC1RAB9AALDH1A1HPGD
SCHEMBL15570209 0.72 CSF1R (0.42) POLBNPC1RAB9AALDH1A1GAA
Hydrochloric Acid SCHEMBL1695958 0.71 RAB9A (0.47) POLBNPC1RAB9AALDH1A1HPGD

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-20120065208-A1 CANCER TREATMENT Electronic Patent Assignments System (EPAS) 2012-03-15 US claimed

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-20120065208-A1 CANCER TREATMENT BRCA1, VHL, MGMT POLB 1513/4885NPC1 174/4885RAB9A 1704/4885

“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.