SCHEMBL6492246

SCHEMBL6492246

NC(c1ccc2[nH]c3ccccc3c2c1)c1cccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.44
KIF11 P52732 6/20 0.43
ALDH1A1 P00352 4/20 0.41
HSD17B10 Q99714 3/20 0.41
GPR3 P46089 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
CASR P41180 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
LMNA P02545 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
SCHEMBL6484779 0.82 KIF11 (0.49) AHRKIF11ALDH1A1HSD17B10GPR3
SCHEMBL6765279 0.76 ALDH1A1 (0.46) AHRKIF11ALDH1A1HSD17B10GPR3
SCHEMBL3742081 0.75 ALDH1A1 (0.35) ALDH1A1CASRCYP1A2CYP2C9CYP2C19
SCHEMBL6527095 0.75 ALDH1A1 (0.40) AHRALDH1A1HSD17B10KDM4EHPGD
SCHEMBL869228 0.74 KIF11 (0.59) AHRKIF11ALDH1A1HSD17B10GPR3
SCHEMBL10130992 0.74 KIF11 (0.51) KIF11ALDH1A1KDM4ECASRCYP1A2
SCHEMBL6481919 0.73 ALDH1A1 (0.46) AHRALDH1A1HSD17B10KDM4EMEN1
SCHEMBL3543754 0.73 ALDH1A1 (0.52) ALDH1A1HSD17B10HPGDCYP1A2CYP2C9
SCHEMBL4851124 0.73 ALDH1A1 (0.52) ALDH1A1HSD17B10HPGDCYP1A2CYP2C9
SCHEMBL10114699 0.73 MEN1 (0.46) KIF11MEN1KMT2ACASRCYP1A2

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 9 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-20030229073-A1 Tricyclic compounds and method of treating herpes virus BOOTH RICHARD JOHN (US) 2003-12-11 US claimed
EP-1248777-A2 TRICYCLIC COMPOUNDS WITH ANTIVIRAL ACTIVITY WARNER-LAMBERT COMPANY (US) 2002-10-16 EP claimed
WO-2001051479-A2 TRICYCLIC COMPOUNDS WITH ANTIVIRAL ACTIVITY WARNER-LAMBERT COMPANY (US) 2001-07-19 WO 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
EP-1248777-A2 TRICYCLIC COMPOUNDS WITH ANTIVIRAL ACTIVITY WARNER-LAMBERT COMPANY (US) 2002-10-16 EP disclosed
WO-2001051479-A2 TRICYCLIC COMPOUNDS WITH ANTIVIRAL ACTIVITY WARNER-LAMBERT COMPANY (US) 2001-07-19 WO 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 AHR 2670/4885KIF11 1727/4885ALDH1A1 4486/4885
US-20050075332-A1 Tricyclic compounds with antiviral activity HDAC8, CDK8, ZC3HAV1 AHR 1774/4885KIF11 2323/4885ALDH1A1 4111/4885

“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.