SCHEMBL14763526

SCHEMBL14763526

CCc1cccc(Cl)c1N1CSC(C)=C1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
HTR1A P08908 3/20 0.36
DRD2 P14416 3/20 0.36
DRD4 P21917 3/20 0.36
HTR2A P28223 3/20 0.36
HTR2C P28335 3/20 0.36
DRD3 P35462 3/20 0.36
P2RX7 Q99572 6/20 0.35
HSD17B3 P37058 1/20 0.33
NOTUM Q6P988 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPK11 Q15759 1/20 0.32
MAPK14 Q16539 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
AMPD2 Q01433 1/20 0.31
CYP1A2 P05177 1/20 0.31
GAA P10253 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL2526762 0.89 CRHBP (0.43) CRHBPCRHR2HTR1ADRD2DRD4
Hydrochloric Acid SCHEMBL2523592 0.88 CRHBP (0.42) CRHBPCRHR2HTR1ADRD2DRD4
SCHEMBL14763525 0.71 CRHBP (0.33) CRHBPCRHR2HTR1ADRD2DRD4
SCHEMBL2523158 0.67 GABRA1 (0.35) HTR2CALDH1A1CYP1A2
SCHEMBL27957559 0.67 DPP4 (0.45) ALDH1A1CYP2C9CYP2C19
SCHEMBL91279 0.65 PNMT (0.62) HTR1ADRD2DRD4HTR2AHTR2C
SCHEMBL27763649 0.65 NCF1 (0.41) P2RX7MEN1KMT2AGAA
SCHEMBL3789998 0.64 ALDH1A1 (0.48) P2RX7ALDH1A1
Hydrochloric Acid SCHEMBL3845112 0.63 FEN1 (0.39) ALDH1A1MEN1KMT2A
SCHEMBL2200675 0.62 GABRA1 (0.55) HTR1ADRD2DRD4HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140235867-A1 METHOD FOR PRODUCING ALPHA-HYDROXY KETONE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-08-21 US disclosed
WO-2013035650-A1 METHOD FOR PRODUCING ALPHA - HYDROXY KETONE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-03-14 WO 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 (1 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-20140235867-A1 METHOD FOR PRODUCING ALPHA-HYDROXY KETONE COMPOUND HSD17B7, BCKDK, HSD11B1 CRHBP 2450/4885CRHR2 2197/4885HTR1A 2322/4885

“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.