SCHEMBL13712985

SCHEMBL13712985

Cc1csc(-c2ccccc2C(C)C)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.49
GLA P06280 1/20 0.44
CYP3A4 P08684 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP2E1 P05181 1/20 0.44
CYP2A6 P11509 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2B6 P20813 1/20 0.44
ADRA1A P35348 1/20 0.40
GAA P10253 2/20 0.39
RAB9A P51151 2/20 0.39
ADORA2A P29274 2/20 0.38
DHFR P00374 1/20 0.38

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
SCHEMBL24359768 0.86 PDE10A (0.42) PDE10AGLACYP3A4KMT2AKDM4E
SCHEMBL18415086 0.81 ALDH1A1 (0.43) PDE10AGLACYP3A4KMT2AKDM4E
SCHEMBL28648764 0.78 PDE10A (0.51) PDE10AGLACYP3A4KMT2AKDM4E
SCHEMBL21091020 0.77 PDE10A (0.55) PDE10AGLACYP3A4KMT2AKDM4E
SCHEMBL21091357 0.77 PDE10A (0.41) PDE10AGLACYP3A4KMT2AKDM4E
SCHEMBL5536800 0.76 PDE10A (0.53) PDE10AGLACYP3A4KMT2AKDM4E
SCHEMBL829862 0.76 PDE10A (0.53) PDE10AGLACYP3A4KMT2AKDM4E
SCHEMBL2048608 0.74 HTR2B (0.57) PDE10AGLACYP3A4KMT2AKDM4E
SCHEMBL27287019 0.74 CYP3A4 (0.54) PDE10AGLACYP3A4KMT2AKDM4E
SCHEMBL2096015 0.74 ALDH1A1 (0.59) PDE10AGLACYP3A4KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210095196-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2021-04-01 US disclosed
US-7592456-B2 Arylsulfonylnaphthalene derivatives as 5HT2A antagonists MERCK SHARP & DOHME LIMITED (GB) 2009-09-22 US disclosed
US-7592456-B2 Arylsulfonylnaphthalene derivatives as 5HT2A antagonists MERCK SHARP & DOHME LIMITED (GB) 2009-09-22 US disclosed
US-20070281952-A1 Arylsulfonylnaphthalene Derivatives As 5Ht2a Antagonists MERCK SHARPE & DOHME LIMITED (GB) 2007-12-06 US disclosed
US-20070281952-A1 Arylsulfonylnaphthalene Derivatives As 5Ht2a Antagonists MERCK SHARPE & DOHME LIMITED (GB) 2007-12-06 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-20210095196-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES SSB, RO60, OSBP PDE10A 4135/4885GLA 1976/4885CYP3A4 1100/4885
US-20070281952-A1 Arylsulfonylnaphthalene Derivatives As 5Ht2a Antagonists HTR2A, HTR2C, HTR1A PDE10A 1367/4885GLA 4376/4885CYP3A4 415/4885

“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.