SCHEMBL6497967

SCHEMBL6497967

c1ccc2c(c1)oc1ccc(NCc3ccsc3)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.48
HPGD P15428 3/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
RAB9A P51151 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAOB P27338 1/20 0.38
LMNA P02545 2/20 0.37
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
AHR P35869 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL6483400 0.86 NPC1 (0.48) NPC1KMT2ARAB9AMAOBCA12
SCHEMBL6482837 0.85 NPC1 (0.47) NPC1HPGDMAOBCA12CA9
SCHEMBL6482622 0.85 NPC1 (0.61) NPC1HPGDAHRL3MBTL1
SCHEMBL7246584 0.83 CYP1A2 (0.53) NPC1HPGDHTTHSD17B10CYP1A2
SCHEMBL6482295 0.83 HPGD (0.54) NPC1HPGDHTTHSD17B10CYP1A2
SCHEMBL7245463 0.80 MAOB (0.47) NPC1HPGDHTTCYP1A2CYP2D6
SCHEMBL6493319 0.78 HTT (0.53) NPC1HPGDHTTHSD17B10CYP1A2
SCHEMBL6481427 0.78 CNR2 (0.48) NPC1HPGDHTTHSD17B10CYP1A2
SCHEMBL6493823 0.78 EGFR (0.50) NPC1HPGDHTTHSD17B10CYP1A2
SCHEMBL6491860 0.78 KDM4E (0.49) NPC1HPGDHTTHSD17B10KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050075332-A1 Tricyclic compounds with antiviral activity WARNER LAMBERT COMPANY 2005-04-07 US claimed
US-6800656-B2 Tricyclic compounds and method of treating herpes virus WARNER LAMBERT COMPANY 2004-10-05 US claimed
US-20030229073-A1 Tricyclic compounds and method of treating herpes virus BOOTH RICHARD JOHN (US) 2003-12-11 US claimed
US-20050075332-A1 Tricyclic compounds with antiviral activity WARNER LAMBERT COMPANY 2005-04-07 US disclosed
US-6800656-B2 Tricyclic compounds and method of treating herpes virus WARNER LAMBERT COMPANY 2004-10-05 US disclosed
US-20030229073-A1 Tricyclic compounds and method of treating herpes virus BOOTH RICHARD JOHN (US) 2003-12-11 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 (2 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-20030229073-A1 Tricyclic compounds and method of treating herpes virus HDAC8, ZC3HAV1, ZCCHC8 NPC1 1256/4885HPGD 3199/4885HTT 4405/4885
US-20050075332-A1 Tricyclic compounds with antiviral activity HDAC8, CDK8, ZC3HAV1 NPC1 2036/4885HPGD 4074/4885HTT 3494/4885

“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.