SCHEMBL442624

SCHEMBL442624

Cc1ccc(NC(C(N)=O)c2ccccc2C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
MAPT P10636 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
MMP8 P22894 1/20 0.40
KIF11 P52732 1/20 0.40
GAA P10253 1/20 0.40
LMNA P02545 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CRHR1 P34998 3/20 0.37
SCN5A Q14524 1/20 0.37
SCN2A Q99250 1/20 0.37
LTA4H P09960 1/20 0.37
PTGS2 P35354 1/20 0.37
DDAH1 O94760 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL410966 0.84 HSD17B10 (0.44) ALDH1A1MAPTGAA
SCHEMBL442625 0.81 POLB (0.46) ALDH1A1MAPTGAANPC1RAB9A
SCHEMBL5324207 0.77 HPGD (0.43) ALDH1A1MAPTCA12GAALMNA
SCHEMBL15570209 0.76 CSF1R (0.42) ALDH1A1GAALMNANPC1RAB9A
SCHEMBL7996778 0.72 ALDH1A1 (0.52) ALDH1A1GAALMNACNR2TDP1
SCHEMBL11256419 0.72 ALDH1A1 (0.49) ALDH1A1MAPTGAALMNANPC1
SCHEMBL1819856 0.72 HPGD (0.50) ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL29388433 0.72 ALDH1A1 (0.50) ALDH1A1GAANPC1RAB9ATDP1
SCHEMBL29564582 0.71 CA12 (0.48) ALDH1A1MAPTCA12CA1MMP8
SCHEMBL29157097 0.71 CTSA (0.43) ALDH1A1SMN1; SMN2

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 ALDH1A1 618/4885MAPT 2160/4885CA12 3655/4885

“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.