SCHEMBL398143

SCHEMBL398143

CCC(C)c1csc(-c2ccccc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.48
SREBF2 Q12772 2/20 0.45
HPGD P15428 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 2/20 0.44
AR P10275 1/20 0.44
RAB9A P51151 4/20 0.43
LMNA P02545 1/20 0.43
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
MEN1 O00255 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
CYP19A1 P11511 1/20 0.41
MAPT P10636 2/20 0.40

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
SCHEMBL21784040 0.87 CTSK (0.46) CTSKSREBF2HPGDKMT2AKDM4E
SCHEMBL24435682 0.85 SREBF2 (0.46) CTSKSREBF2HPGDKMT2AKDM4E
SCHEMBL62767 0.82 SREBF2 (0.50) CTSKSREBF2HPGDKMT2AKDM4E
SCHEMBL5535547 0.80 CTSK (0.44) CTSKSREBF2HPGDKMT2AKDM4E
SCHEMBL10770603 0.79 CTSK (0.50) CTSKSREBF2HPGDKMT2AKDM4E
SCHEMBL2091893 0.79 SREBF2 (0.47) CTSKSREBF2HPGDKMT2AKDM4E
SCHEMBL13177266 0.78 KDM4E (0.51) SREBF2HPGDKMT2AKDM4ERAB9A
SCHEMBL16746841 0.76 CTSK (0.51) CTSKKMT2AKDM4ERAB9ASMN1; SMN2
SCHEMBL14853242 0.76 CTSK (0.43) CTSKSREBF2HPGDKMT2AKDM4E
SCHEMBL10445184 0.75 CTSK (0.53) CTSKSREBF2HPGDKMT2AKDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9834513-B2 Benzylamine derivatives Kalvista Pharmceuticals Limited (GB) 2017-12-05 US disclosed
US-20170253561-A1 Benzylamine Derivatives KALVISTA PHARMACEUTICALS LTD (GB) 2017-09-07 US disclosed
US-8101637-B2 Alkynyl derivatives as modulators of metatropic glutamate receptors ADDEX PHARMA SA (CH) 2012-01-24 US disclosed
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2009-05-14 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-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 CTSK 4494/4885SREBF2 1487/4885HPGD 3146/4885
US-20170253561-A1 Benzylamine Derivatives BDKRB1, BDKRB2, KLKB1 CTSK 180/4885SREBF2 4530/4885HPGD 605/4885

“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.