SCHEMBL3696296

SCHEMBL3696296

Fc1c(Cl)cccc1Cn1ccc(N=S)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KLKB1 P03952 2/20 0.34
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
STAT3 P40763 1/20 0.32
EGFR P00533 1/20 0.32
AKR1B1 P15121 1/20 0.32
GUCY1B2 O75343 1/20 0.32
GUCY1A2 P33402 1/20 0.32
GUCY1A1 Q02108 1/20 0.32
GUCY1B1 Q02153 1/20 0.32

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
SCHEMBL13151539 0.86 ALDH1A1 (0.47) KMT2AALDH1A1MEN1NPC1RAB9A
SCHEMBL15177631 0.83 EGFR (0.46) KMT2AALDH1A1MEN1NPC1RAB9A
SCHEMBL3681478 0.83 KMT2A (0.38) KMT2AALDH1A1MEN1NPC1RAB9A
SCHEMBL3693903 0.80 ALDH1A1 (0.60) KMT2AALDH1A1MEN1NPC1RAB9A
SCHEMBL634901 0.78 ALDH1A1 (0.63) KMT2AALDH1A1MEN1NPC1RAB9A
SCHEMBL3690893 0.78 TP53 (0.41) KMT2AALDH1A1MEN1RAB9ASMN1; SMN2
SCHEMBL15871678 0.76 MEN1 (0.39) KMT2AALDH1A1MEN1
SCHEMBL3695976 0.74 DBH (0.43) KMT2AMEN1NPC1RAB9AP2RX7
SCHEMBL3699754 0.74 KMT2A (0.46) KMT2AALDH1A1MEN1NPC1RAB9A
SCHEMBL3696148 0.74 ALDH1A1 (0.39) KMT2AALDH1A1MEN1NPC1RAB9A

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-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
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 2219/4885ALDH1A1 2718/4885MEN1 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.