SCHEMBL10073386

SCHEMBL10073386

Cc1ccc(/C=N/S)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.67
NPC1 O15118 1/20 0.67
RAB9A P51151 1/20 0.67
GRIN2D O15399 2/20 0.50
GRIN3B O60391 2/20 0.50
GRIN1 Q05586 2/20 0.50
GRIN2A Q12879 2/20 0.50
GRIN2B Q13224 2/20 0.50
GRIN2C Q14957 2/20 0.50
GRIN3A Q8TCU5 2/20 0.50
CYP2A6 P11509 1/20 0.48
ATM Q13315 1/20 0.47
PTGS2 P35354 3/20 0.46
PTGS1 P23219 2/20 0.46
CA12 O43570 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
ALDH1A1 P00352 4/20 0.45
ACHE P22303 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL9377205 1.00 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9AGRIN2DGRIN3B
SCHEMBL2608307 0.80 NPC1 (1.00) SMN1; SMN2NPC1RAB9AGRIN2DGRIN3B
SCHEMBL11743247 0.80 NPC1 (1.00) SMN1; SMN2NPC1RAB9AGRIN2DGRIN3B
SCHEMBL21527117 0.78 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9AGRIN2DGRIN3B
SCHEMBL862550 0.78 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9AGRIN2DGRIN3B
SCHEMBL24181416 0.76 NPC1 (0.48) SMN1; SMN2NPC1RAB9ACYP2A6ALDH1A1
SCHEMBL2161965 0.76 NPC1 (0.64) SMN1; SMN2NPC1RAB9AGRIN2DGRIN3B
SCHEMBL2263518 0.76 NPC1 (0.64) SMN1; SMN2NPC1RAB9AGRIN2DGRIN3B
SCHEMBL2161969 0.76 NPC1 (0.64) SMN1; SMN2NPC1RAB9AGRIN2DGRIN3B
SCHEMBL11959565 0.76 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9AGRIN2DGRIN3B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3640242-A1 ROCK-INHIBITING COMPOUND AND USES THEREOF Hitgen Ltd. (CN) 2020-04-22 EP disclosed
US-8093274-B2 Inhibitors of protein prenyltransferases THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-01-10 US disclosed
US-20100063114-A1 INHIBITORS OF PROTEIN PRENYLTRANSFERASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-03-11 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-20100063114-A1 INHIBITORS OF PROTEIN PRENYLTRANSFERASES GGT1, FNTA, FNTB SMN1; SMN2 4776/4885NPC1 63/4885RAB9A 735/4885

“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.