SCHEMBL2115291

SCHEMBL2115291

Fc1cccc(Cl)c1Cn1ccc(N=C=S)n1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.43
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 1/20 0.40
CYP2A13 Q16696 1/20 0.40
PKM P14618 1/20 0.40
TAAR1 Q96RJ0 1/20 0.38
MEN1 O00255 2/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.36

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
SCHEMBL633360 0.91 ALDH1A1 (0.37) EGFRRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL15177631 0.85 EGFR (0.46) EGFRRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL3440036 0.80 EGFR (0.42) EGFRRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL3440037 0.79 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1L3MBTL1KMT2APKM
SCHEMBL15164143 0.79 MEN1 (0.31) ALDH1A1KMT2AMEN1
SCHEMBL633307 0.77 KMT2A (0.47) KMT2ACYP2A13PKMMEN1GAA
SCHEMBL634359 0.75 ALDH1A1 (0.59) EGFRRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL3439941 0.75 CACNA1G (0.41) RAB9ASMN1; SMN2NPC1ALDH1A1L3MBTL1
SCHEMBL15154543 0.74 L3MBTL1 (0.31) L3MBTL1
SCHEMBL2116636 0.70 STIM1 (0.34) EGFRSMN1; SMN2ALDH1A1KMT2ALMNA

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 EGFR 3638/4885RAB9A 3291/4885SMN1; SMN2 4120/4885

“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.