SCHEMBL3863264

SCHEMBL3863264

COc1cccc(C(=O)N2c3cc(F)ccc3-c3ccccc3C2C)c1.COc1cccc(C(=O)NC(C)c2ccccc2-c2ccc(F)cc2F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ROCK1 Q13464 6/20 0.41
MAPK1 P28482 2/20 0.41
RPS6KA5 O75582 1/20 0.41
MAP4K4 O95819 1/20 0.41
PRKCG P05129 1/20 0.41
CDK1 P06493 1/20 0.41
PRKACA P17612 1/20 0.41
RPS6KB1 P23443 1/20 0.41
CDK2 P24941 1/20 0.41
AKT1 P31749 1/20 0.41
AKT2 P31751 1/20 0.41
FLT4 P35916 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
IRAK1 P51617 1/20 0.41
RPS6KA3 P51812 1/20 0.41
PRKX P51817 1/20 0.41

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
SCHEMBL3860350 0.91 ROCK1 (0.40) RAB9ASMN1; SMN2ROCK1MAPK1RPS6KA5
SCHEMBL3860967 0.85 ALDH1A1 (0.49) NPC1RAB9ASMN1; SMN2MAPK1ALDH1A1
SCHEMBL3863190 0.81 RAB9A (0.51) NPC1RAB9ASMN1; SMN2ROCK1MAPK1
SCHEMBL3860835 0.78 KMT2A (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL5579096 0.76 ROCK1 (0.51) NPC1RAB9ASMN1; SMN2ROCK1MAPK1
SCHEMBL3855506 0.76 MEN1 (0.57) NPC1RAB9ASMN1; SMN2ROCK1MAPK1
SCHEMBL3855301 0.76 GAA (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL3861328 0.74 BCHE (0.52) ALDH1A1MEN1KMT2AHTT
SCHEMBL3855476 0.73 KMT2A (0.43) MEN1KMT2A
SCHEMBL3860822 0.73 KMT2A (0.43) MEN1KMT2A

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-7585871-B2 4-{[(6R)-8-fluoro-6-methylphenanthridin-5(6H)-yl]carbonyl}phenol; 3-{[(6S)-8-fluoro-6-methylphenanthridin-5(6H)-yl]carbonyl}phenol; 4-{[(6S)-8-fluoro-6-methylphenanthridin-5(6H)-yl]carbonyl}phenol; cytokine expression WYETH (US) 2009-09-08 US disclosed
US-20060058337-A1 Phenanthridine carbonyl phenols WYETH (US) 2006-03-16 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-20060058337-A1 Phenanthridine carbonyl phenols MT-CO2, PAH, CBR3 NPC1 1434/4885RAB9A 4316/4885SMN1; SMN2 4530/4885

“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.