SCHEMBL3696789

SCHEMBL3696789

O=C(O)c1ccc2nnsc2c1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
ALDH1A1 P00352 6/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
HSD17B10 Q99714 2/20 0.36
BAZ1A Q9NRL2 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
CASP1 P29466 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
MAPT P10636 2/20 0.34
TP53 P04637 2/20 0.34
POLB P06746 1/20 0.34
SELL P14151 1/20 0.33
SELP P16109 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL3701440 0.85 NPC1 (0.40) ALDH1A1BAZ1ASMN1; SMN2NPC1RAB9A
SCHEMBL9668300 0.76 DPP4 (0.44) TSHRALDH1A1CYP1A2CYP2C9HSD17B10
1,2,3-Benzothia-Diazole-7-Carboxylic Acid SCHEMBL2455715 0.75 ALDH1A1 (0.44) TSHRALDH1A1CYP1A2CYP2C9HSD17B10
SCHEMBL3704781 0.73 ALDH1A1 (0.38) ALDH1A1BAZ1ANPC1RAB9AMEN1
SCHEMBL9668093 0.70 BAZ1A (0.40) ALDH1A1CYP1A2CYP2C9HSD17B10BAZ1A
SCHEMBL3701490 0.70 BAZ1A (0.31) BAZ1ANPC1RAB9AMEN1KMT2A
SCHEMBL32690872 0.70 TSHR (0.61) TSHRALDH1A1CYP1A2HSD17B10SMN1; SMN2
SCHEMBL217628 0.70 TSHR (0.61) TSHRALDH1A1CYP1A2HSD17B10SMN1; SMN2
SCHEMBL9088493 0.69 NPC1 (0.37) ALDH1A1CYP1A2CYP2C9HSD17B10SMN1; SMN2
SCHEMBL8871684 0.68 ALDH1A1 (0.34) ALDH1A1CYP1A2CYP2C9HSD17B10MEN1

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
EP-2460789-B1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL CO (JP) 2017-04-19 EP disclosed
US-9079830-B2 Method for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-07-14 US disclosed
EP-2460789-A1 METHOD FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2012-06-06 EP disclosed
US-20120123154-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-05-17 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 (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-20120123154-A1 METHOD FOR PRODUCING BIARYL COMPOUND AKR7A2, AOC2, CBR1 TSHR 1160/4885ALDH1A1 35/4885CYP1A2 10/4885

“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.