SCHEMBL1764529

SCHEMBL1764529

Cc1ccc(-c2csc(C)n2)c(C)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.59
NPSR1 Q6W5P4 1/20 0.59
CYP17A1 P05093 1/20 0.55
KDM4E B2RXH2 3/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
ATM Q13315 2/20 0.52
NPC1 O15118 1/20 0.52
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
RECQL P46063 2/20 0.45
ALDH1A1 P00352 2/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
ESR2 Q92731 1/20 0.45
HTT P42858 1/20 0.44
TSHR P16473 1/20 0.44
ROCK2 O75116 1/20 0.43
PIM1 P11309 1/20 0.43

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
SCHEMBL19002850 0.85 MEN1 (0.56) MAPTNPSR1CYP17A1KDM4EMEN1
SCHEMBL3130593 0.84 MAPT (0.61) MAPTNPSR1CYP17A1KDM4EMEN1
SCHEMBL2920538 0.82 HTT (0.59) MAPTNPSR1KDM4EMEN1KMT2A
SCHEMBL19625306 0.81 MAPT (0.55) MAPTNPSR1CYP17A1KDM4EMEN1
SCHEMBL8247118 0.80 MPL (0.54) MAPTNPSR1KDM4EMEN1KMT2A
SCHEMBL24696015 0.80 MAPT (0.54) MAPTNPSR1CYP17A1KDM4EMEN1
SCHEMBL26643227 0.77 RAB9A (0.50) MAPTKDM4ENPC1SMN1; SMN2ALDH1A1
SCHEMBL23657751 0.77 CYP17A1 (0.73) MAPTNPSR1CYP17A1KDM4EMEN1
SCHEMBL8698425 0.77 ATP4A (0.57) MAPTKDM4ENPC1RECQLALDH1A1
Lithium Ion SCHEMBL30644082 0.75 HTT (0.43) MAPTNPSR1KDM4ENPC1SMN1; SMN2

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
WO-2023218023-A1 THIAZOLOARYL-METHYL SUBSTITUTED CYCLIC HYDRAZINE-N-CARBOXAMIDE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2023-11-16 WO disclosed
US-20170334912-A1 Purine Diones As Wnt Pathway Modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-11-23 US disclosed
US-8288435-B2 2-aza-bicyclo[3.1.0]hexane derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2012-10-16 US disclosed
US-20110124636-A1 2-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-05-26 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-20170334912-A1 Purine Diones As Wnt Pathway Modulators WNT1, WNT3A, CTNNB1 MAPT 4783/4885NPSR1 1476/4885CYP17A1 1938/4885
US-20110124636-A1 2-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, CNR1 MAPT 3585/4885NPSR1 12/4885CYP17A1 1633/4885

“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.