SCHEMBL3696148

SCHEMBL3696148

S=Nc1ccn(Cc2ccccc2Br)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
TYR P14679 1/20 0.37
CYP2A13 Q16696 1/20 0.37
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
PLA2G1B P04054 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
HDAC1 Q13547 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33
CYP19A1 P11511 1/20 0.33
TSHR P16473 2/20 0.33
HTT P42858 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
SCHEMBL3693903 0.81 ALDH1A1 (0.60) ALDH1A1MEN1KMT2ACYP2A13NPC1
SCHEMBL3699754 0.81 KMT2A (0.46) ALDH1A1MEN1KMT2ACYP2A13NPC1
SCHEMBL3691316 0.78 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ANPSR1KDM4E
SCHEMBL10084824 0.77 CYP19A1 (0.44) ALDH1A1NPC1RAB9AKDM4ELMNA
SCHEMBL13151539 0.76 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL3440018 0.76 ALDH1A1 (0.66) ALDH1A1MEN1KMT2ATYRCYP2A13
SCHEMBL15871678 0.75 MEN1 (0.39) ALDH1A1MEN1KMT2A
SCHEMBL3681478 0.74 KMT2A (0.38) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL3696296 0.74 KMT2A (0.38) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL15871695 0.73 DAO (0.42) ALDH1A1MEN1KMT2ANPC1MAPT

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 ALDH1A1 2718/4885MEN1 564/4885KMT2A 2219/4885

“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.