SCHEMBL3493719

SCHEMBL3493719

O=C(NCc1cccc(F)c1)NNC(=O)c1ccc2c(c1)CCO2

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.53
NPC1 O15118 3/20 0.52
POLB P06746 1/20 0.52
MAPT P10636 1/20 0.50
HPGD P15428 2/20 0.49
TSHR P16473 1/20 0.49
GSK3B P49841 2/20 0.48
ROCK2 O75116 1/20 0.47
HSD17B10 Q99714 1/20 0.46
LMNA P02545 1/20 0.45
TAS1R3 Q7RTX0 2/20 0.45
TAS1R1 Q7RTX1 2/20 0.45
AURKA O14965 1/20 0.45
RPS6KB1 P23443 1/20 0.45
AURKB Q96GD4 1/20 0.45
NAMPT P43490 1/20 0.45
MAOB P27338 1/20 0.44
EGLN1 Q9GZT9 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.42

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
SCHEMBL3493718 0.76 TRPM8 (0.48) RAB9ANPC1HPGDTSHRGSK3B
SCHEMBL4504022 0.76 CNR1 (0.51) RAB9ANPC1NAMPT
SCHEMBL8322382 0.73 RAB9A (0.53) RAB9ANPC1POLBMAPTHPGD
SCHEMBL1395940 0.70 TAS1R3 (0.63) RAB9ANPC1POLBTSHRTAS1R3
SCHEMBL13702300 0.69 TAS1R3 (0.66) RAB9ANPC1HPGDHSD17B10TAS1R3
SCHEMBL5338226 0.69 HPGD (0.63) MAPTHPGDTSHRROCK2LMNA
SCHEMBL13149469 0.69 RAB9A (0.78) RAB9ANPC1POLBMAPTROCK2
SCHEMBL3033717 0.68 RAB9A (0.70) RAB9ANPC1POLBMAPTHPGD
SCHEMBL20051405 0.68 RAB9A (0.66) RAB9ANPC1POLBMAPTGSK3B
SCHEMBL3620383 0.68 RAB9A (0.70) RAB9ANPC1POLBMAPTHPGD

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-8492378-B2 GSK-3β inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-23 US disclosed
US-20100069381-A1 GSK-3BETAINHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-18 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-20100069381-A1 GSK-3BETAINHIBITOR GSK3B, GSK3A, GSKIP RAB9A 3231/4885NPC1 1571/4885POLB 2392/4885

“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.