SCHEMBL14763525

SCHEMBL14763525

CCc1cccc(Cl)c1N1[C]SC(C)=C1C

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
ALDH1A1 P00352 2/20 0.32
GABRA1 P14867 3/20 0.31
GABRB2 P47870 3/20 0.31
HTR1A P08908 3/20 0.31
DRD2 P14416 3/20 0.31
DRD4 P21917 3/20 0.31
HTR2A P28223 3/20 0.31
HTR2C P28335 3/20 0.31
DRD3 P35462 3/20 0.31
P2RX7 Q99572 1/20 0.30
KCNJ5 P48544 1/20 0.30
KCNJ3 P48549 1/20 0.30
NPC1 O15118 1/20 0.30
NOTUM Q6P988 1/20 0.30

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
SCHEMBL14763883 0.86 NOTUM (0.32) ALDH1A1NOTUM
SCHEMBL14763526 0.71 CRHBP (0.38) CRHBPCRHR2ALDH1A1HTR1ADRD2
SCHEMBL15952820 0.64 BRD9 (0.33)
SCHEMBL3789998 0.64 ALDH1A1 (0.48) ALDH1A1GABRA1GABRB2P2RX7
SCHEMBL5412834 0.62 GABRA1 (0.44) GABRA1GABRB2P2RX7
SCHEMBL10518257 0.62 MAPT (0.57) ALDH1A1
SCHEMBL91279 0.61 PNMT (0.62) ALDH1A1GABRA1GABRB2HTR1ADRD2
SCHEMBL91282 0.61
SCHEMBL30633058 0.61
SCHEMBL17033315 0.61 KCNJ5 (0.44) CRHBPCRHR2ALDH1A1P2RX7KCNJ5

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 2197/4885ALDH1A1 98/4885

“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.