SCHEMBL600063

SCHEMBL600063

COC(=O)c1ccc2[nH]c3cc(SC)ccc3c2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.64
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 2/20 0.52
HPGD P15428 1/20 0.52
HSD17B10 Q99714 1/20 0.52
PARP1 P09874 3/20 0.51
RAB9A P51151 4/20 0.50
NPC1 O15118 2/20 0.50
ATM Q13315 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HCRTR1 O43613 1/20 0.48
DYRK1A Q13627 1/20 0.47
CSNK2A1 P68400 1/20 0.46
HTT P42858 1/20 0.44
FTO Q9C0B1 1/20 0.44
CREBBP Q92793 1/20 0.44

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
SCHEMBL28063129 0.84 KIF11 (0.70) KIF11MEN1KMT2AKDM4EALDH1A1
SCHEMBL29708168 0.81 KIF11 (0.84) KIF11MEN1KMT2AKDM4EALDH1A1
SCHEMBL4725998 0.81 KIF11 (0.84) KIF11MEN1KMT2AKDM4EALDH1A1
Clausine C SCHEMBL601713 0.81 KIF11 (0.67) KIF11MEN1KMT2AKDM4EALDH1A1
SCHEMBL71508 0.80 KIF11 (0.82) KIF11MEN1KMT2AKDM4EALDH1A1
SCHEMBL30522267 0.77 KIF11 (1.00) KIF11MEN1KMT2AKDM4EALDH1A1
SCHEMBL2483277 0.77 KIF11 (1.00) KIF11MEN1KMT2AKDM4EALDH1A1
SCHEMBL19331068 0.76 KDM4E (0.66) KIF11MEN1KMT2AKDM4EALDH1A1
SCHEMBL29373898 0.76 KDM4E (0.66) KIF11MEN1KMT2AKDM4EALDH1A1
SCHEMBL6009589 0.74 KIF11 (0.72) KIF11MEN1KMT2AKDM4EALDH1A1

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-20170096426-A1 Novel Tricyclic Modulators of Cannabinoid Receptors THE UNIV OF MONTANA (US) 2017-04-06 US disclosed
US-20170096426-A1 Novel Tricyclic Modulators of Cannabinoid Receptors THE UNIV OF MONTANA (US) 2017-04-06 US disclosed
US-20170096426-A1 Novel Tricyclic Modulators of Cannabinoid Receptors THE UNIV OF MONTANA (US) 2017-04-06 US disclosed
US-20120039804-A1 Novel Tricyclic Modulators of Cannabinoid Receptors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-02-16 US disclosed
US-20120039804-A1 Novel Tricyclic Modulators of Cannabinoid Receptors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-02-16 US disclosed
US-20120039804-A1 Novel Tricyclic Modulators of Cannabinoid Receptors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-02-16 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-20120039804-A1 Novel Tricyclic Modulators of Cannabinoid Receptors CNR1, CNR2, OPRL1 KIF11 4554/4885MEN1 3607/4885KMT2A 1530/4885
US-20170096426-A1 Novel Tricyclic Modulators of Cannabinoid Receptors CNR1, CNR2, OPRL1 KIF11 4554/4885MEN1 3607/4885KMT2A 1530/4885

“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.