SCHEMBL6498089

SCHEMBL6498089

c1ccc2c(c1)oc1ccc(NC3CCSC3)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
NPC1 O15118 5/20 0.41
RAB9A P51151 4/20 0.41
GAA P10253 4/20 0.41
LMNA P02545 3/20 0.41
HTT P42858 3/20 0.41
MAPT P10636 5/20 0.40
KDM4E B2RXH2 4/20 0.40
HPGD P15428 4/20 0.40
ALDH1A1 P00352 3/20 0.40
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
AHR P35869 2/20 0.36
TP53 P04637 2/20 0.36
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
SYK P43405 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
SCHEMBL6495109 0.92 MEN1 (0.43) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL6481041 0.83 NPC1 (0.52) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL6492312 0.81 KDM4E (0.54) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL6495339 0.80 KDM4E (0.56) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL6495251 0.80 KDM4E (0.56) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL6482610 0.80 KDM4E (0.56) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL6481790 0.78 HTR6 (0.46) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL6768316 0.76 SMN1; SMN2 (0.44) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL6492290 0.76 KDM4E (0.48) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL6491925 0.75 CNR2 (0.42) MEN1KMT2ASMN1; SMN2NPC1RAB9A

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 MEN1 3995/4885KMT2A 412/4885SMN1; SMN2 1930/4885
US-20050075332-A1 Tricyclic compounds with antiviral activity HDAC8, CDK8, ZC3HAV1 MEN1 3464/4885KMT2A 770/4885SMN1; SMN2 1358/4885

“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.