SCHEMBL3701440

SCHEMBL3701440

CC(=O)c1ccc2nnsc2c1Cl

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.40
RAB9A P51151 4/20 0.40
POLB P06746 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 6/20 0.36
SMN1; SMN2 Q16637 5/20 0.36
TP53 P04637 4/20 0.36
THRB P10828 1/20 0.36
BAZ1A Q9NRL2 1/20 0.35
GAA P10253 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HTT P42858 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
SCHEMBL3696789 0.85 TSHR (0.39) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL8051642 0.76 MAPT (0.45) NPC1RAB9APOLBTDP1MEN1
SCHEMBL3704781 0.72 ALDH1A1 (0.38) NPC1RAB9APOLBTDP1MEN1
SCHEMBL3701490 0.69 BAZ1A (0.31) NPC1RAB9AMEN1KMT2ABAZ1A
SCHEMBL9668300 0.68 DPP4 (0.44) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL8057091 0.67 BAZ1A (0.41) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL6247069 0.66 MAPK1 (0.46) POLBTDP1MEN1KMT2AMAPT
SCHEMBL13589128 0.66 POLB (0.42) NPC1RAB9APOLBTDP1MEN1
SCHEMBL9668093 0.66 BAZ1A (0.40) NPC1RAB9APOLBMEN1KMT2A
Potassium Ion SCHEMBL3711222 0.66 RAD51 (0.33) KMT2AMAPT

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 NPC1 1442/4885RAB9A 856/4885POLB 2992/4885

“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.