SCHEMBL3699754

SCHEMBL3699754

Cc1ccccc1Cn1ccc(N=S)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MEN1 O00255 2/20 0.46
NPC1 O15118 2/20 0.46
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
CACNA1G O43497 2/20 0.41
CACNA1H O95180 2/20 0.41
CACNA1I Q9P0X4 2/20 0.41
LMNA P02545 3/20 0.40
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CHRNE Q04844 1/20 0.38
GALR3 O60755 1/20 0.38
NR2F2 P24468 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL2113277 0.84 KMT2A (0.43) KMT2ASMN1; SMN2MEN1NPC1CYP11B1
SCHEMBL3693903 0.81 ALDH1A1 (0.60) KMT2ASMN1; SMN2MEN1NPC1LMNA
SCHEMBL29049999 0.78 KMT2A (0.51) KMT2ASMN1; SMN2MEN1NPC1CYP11B1
SCHEMBL13151539 0.76 ALDH1A1 (0.47) KMT2ASMN1; SMN2MEN1NPC1LMNA
SCHEMBL3440017 0.76 KMT2A (0.66) KMT2ASMN1; SMN2MEN1NPC1CYP11B1
SCHEMBL3695976 0.70 DBH (0.43) KMT2AMEN1NPC1CACNA1GCACNA1H
SCHEMBL3696193 0.69 NPC1 (0.35) KMT2ASMN1; SMN2NPC1ALDH1A1RAB9A
SCHEMBL15871692 0.69 TAS2R8 (0.44) KMT2ALMNAALDH1A1
SCHEMBL10085728 0.68 LMNA (0.43) KMT2ASMN1; SMN2NPC1CYP11B1CYP11B2
SCHEMBL3439964 0.68 CACNA1G (0.64) KMT2ASMN1; SMN2MEN1NPC1CACNA1G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524750-B2 (Pyrazol-3-yl)-1,3,4-thiadiazol-2-amine and (pyrazol-3-yl)-1,3,4-thiazol-2-amine compounds GLAXO GROUP LIMITED (GB) 2013-09-03 US disclosed
EP-2419426-B1 (PYRAZOL-3-YL)-1,3,4-THIADIAZOL-2-AMINE AND (PYRAZOL-3-YL)-1,3,4-THIAZOL-2-AMINE COMPOUNDS GLAXO GROUP LTD (GB) 2013-08-14 EP disclosed
US-20120095064-A1 (PYRAZOL-3-YL)-1,3,4-THIADIAZOL-2-AMINE AND (PYRAZOL-3-YL)-1,3,4-THIAZOL-2-AMINE COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-04-19 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-20120095064-A1 (PYRAZOL-3-YL)-1,3,4-THIADIAZOL-2-AMINE AND (PYRAZOL-3-YL)-1,3,4-THIAZOL-2-AMINE COMPOUNDS H1-3, CHRM2, TBL3 KMT2A 2219/4885SMN1; SMN2 4120/4885MEN1 564/4885

“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.