SCHEMBL3515545

SCHEMBL3515545

NC(c1cccs1)c1nc(-c2ccccc2)cs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
KMT2A Q03164 8/20 0.46
MEN1 O00255 7/20 0.46
MAPT P10636 7/20 0.46
RAB9A P51151 7/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
KDM4E B2RXH2 5/20 0.46
NPC1 O15118 5/20 0.46
LMNA P02545 4/20 0.46
NFKB1 P19838 2/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 2/20 0.46
CYP3A4 P08684 1/20 0.46
AR P10275 1/20 0.44
GFER P55789 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
ATP4A P20648 1/20 0.41
ATP4B P51164 1/20 0.41
MAPK1 P28482 4/20 0.41

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
SCHEMBL3453051 0.85 MAPT (0.37) ALDH1A1KMT2AMEN1MAPTRAB9A
SCHEMBL6983589 0.81 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1MAPTRAB9A
SCHEMBL3452379 0.78 USP1 (0.35) ALDH1A1KMT2AMEN1KDM4ENPC1
SCHEMBL4583617 0.76 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1MAPTRAB9A
Hydrochloric Acid SCHEMBL7504446 0.74 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1MAPTRAB9A
SCHEMBL13894473 0.72 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1MAPTRAB9A
SCHEMBL2754043 0.72 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1MAPTRAB9A
SCHEMBL3296607 0.70 ALOX5 (0.42) ALDH1A1KMT2AMAPTRAB9ANPC1
SCHEMBL11697020 0.69 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1MAPTRAB9A
SCHEMBL10052165 0.69 KMT2A (0.58) ALDH1A1KMT2AMEN1MAPTRAB9A

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-20100280268-A1 HOMOGENEOUS TIME RESOLVED FLUORESCENCE BASED TEST SYSTEM TIBOTEC PHARMACEUTICALS LTD. (IE) 2010-11-04 US disclosed
EP-2005177-A1 A HOMOGENEOUS TIME RESOLVED FLUORESCENCE BASED TEST SYSTEM Tibotec Pharmaceuticals Ltd. (IE) 2008-12-24 EP disclosed
WO-2007113337-A1 A HOMOGENEOUS TIME RESOLVED FLUORESCENCE BASED TEST SYSTEM TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-10-11 WO 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-20100280268-A1 HOMOGENEOUS TIME RESOLVED FLUORESCENCE BASED TEST SYSTEM C1QBP, CD4, CHRM4 ALDH1A1 4806/4885KMT2A 2262/4885MEN1 1640/4885

“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.