SCHEMBL6495089

SCHEMBL6495089

c1ccc2cc3cc(NCc4ccnc5ccccc45)ccc3cc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.45
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.44
HTT P42858 2/20 0.44
NPC1 O15118 2/20 0.44
LMNA P02545 1/20 0.44
RAB9A P51151 1/20 0.44
GFER P55789 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP3A4 P08684 3/20 0.44
CYP2D6 P10635 2/20 0.44
HIF1A Q16665 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL5424050 0.79 TRPM5 (0.50) NPC1RAB9AMEN1KMT2A
SCHEMBL6530022 0.79 LOXL2 (0.44) LOXL2ALDH1A1KDM4EHTTLMNA
SCHEMBL6482039 0.77 LOXL2 (0.42) LOXL2ALDH1A1KDM4EHPGDNPC1
SCHEMBL7252426 0.75 LOXL2 (0.49) LOXL2ALDH1A1KDM4EHTTLMNA
SCHEMBL6485086 0.74 LOXL2 (0.39) LOXL2ALDH1A1KDM4EHPGDNPC1
SCHEMBL9582483 0.73 KMT2A (0.55) LOXL2ALDH1A1KDM4EHTTNPC1
SCHEMBL6492265 0.73 BRD4 (0.45) LOXL2ALDH1A1KDM4ENPC1LMNA
SCHEMBL6493285 0.73 LOXL2 (0.38) LOXL2RAB9ACYP3A4GAAMAPT
SCHEMBL30307433 0.72 FADS1 (0.62) HTTKMT2AGAAMAPTTDP1
SCHEMBL6495858 0.71 MAPT (0.50) ALDH1A1NPC1RAB9AGFERSMN1; SMN2

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 10 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-20050240025-A1 Method for producing imidazolium salts STUDIENGESELLSCHAFT KOHLE MBH (DE) 2005-10-27 US disclosed
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 (3 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 LOXL2 2681/4885ALDH1A1 4486/4885KDM4E 1279/4885
US-20050240025-A1 Method for producing imidazolium salts TPMT, MPST, INMT LOXL2 3621/4885ALDH1A1 1469/4885KDM4E 2145/4885
US-20050075332-A1 Tricyclic compounds with antiviral activity HDAC8, CDK8, ZC3HAV1 LOXL2 4224/4885ALDH1A1 4111/4885KDM4E 1476/4885

“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.