SCHEMBL6491995

SCHEMBL6491995

c1ccc2c(c1)oc1cc(NC3CCNCC3)ccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
NPC1 O15118 5/20 0.52
RAB9A P51151 5/20 0.52
GAA P10253 3/20 0.52
LMNA P02545 3/20 0.52
HTT P42858 1/20 0.52
KDM4E B2RXH2 5/20 0.45
TP53 P04637 3/20 0.45
HPGD P15428 3/20 0.45
HSD17B10 Q99714 2/20 0.45
MAPT P10636 2/20 0.45
KHK P50053 1/20 0.45
HTR6 P50406 6/20 0.44
HTR2B P41595 2/20 0.42
ALDH1A1 P00352 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
AHR P35869 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL6481790 0.91 HTR6 (0.46) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL6483570 0.85 KDM4E (0.56) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL6482854 0.85 KDM4E (0.56) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL6481041 0.83 NPC1 (0.52) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL6768311 0.81 NPC1 (0.53) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL6492312 0.78 KDM4E (0.54) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL6482610 0.77 KDM4E (0.56) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL6495339 0.77 KDM4E (0.56) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL6495251 0.77 KDM4E (0.56) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL6495109 0.74 MEN1 (0.43) 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.