SCHEMBL17286236

SCHEMBL17286236

O=C(Nc1cccc(Cl)c1)Nc1ccc(F)c(F)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 11/20 0.77
KMT2A Q03164 11/20 0.77
MAPT P10636 8/20 0.77
LMNA P02545 7/20 0.77
HTT P42858 5/20 0.77
ALDH1A1 P00352 1/20 0.77
RAB9A P51151 8/20 0.73
NPC1 O15118 7/20 0.70
SMN1; SMN2 Q16637 3/20 0.63
L3MBTL1 Q9Y468 2/20 0.61
TP53 P04637 1/20 0.61
TSHR P16473 1/20 0.61
NFKB1 P19838 1/20 0.61
NFKB2 Q00653 1/20 0.61
RELA Q04206 1/20 0.61
NOX1 Q9Y5S8 1/20 0.61
CA12 O43570 1/20 0.60
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
CA9 Q16790 1/20 0.60

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
SCHEMBL30002285 0.88 MEN1 (0.68) MEN1KMT2AMAPTLMNAHTT
SCHEMBL2682054 0.88 KMT2A (1.00) MEN1KMT2AMAPTLMNAHTT
SCHEMBL11007034 0.87 MEN1 (0.79) MEN1KMT2AMAPTLMNAHTT
SCHEMBL11049956 0.84 MEN1 (0.85) MEN1KMT2AMAPTLMNAHTT
SCHEMBL16566470 0.83 MEN1 (0.77) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL6227015 0.83 MEN1 (0.71) MEN1KMT2AMAPTLMNAHTT
SCHEMBL29533340 0.82 MEN1 (1.00) MEN1KMT2AMAPTLMNAHTT
SCHEMBL29077780 0.82 MEN1 (0.89) MEN1KMT2AMAPTLMNAHTT
SCHEMBL10344695 0.82 MEN1 (1.00) MEN1KMT2AMAPTLMNAHTT
SCHEMBL29556162 0.82 MEN1 (0.89) MEN1KMT2AMAPTLMNAHTT

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-9387186-B2 Thiourea derivatives CHOUDHARY MUHAMMAD IQBAL (PK) 2016-07-12 US disclosed
US-20150335594-A1 THIOUREA DERIVATIVES CHOUDHARY MUHAMMAD IQBAL (PK) 2015-11-26 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-20150335594-A1 THIOUREA DERIVATIVES TPMT, TST, NSUN3 MEN1 3775/4885KMT2A 1755/4885MAPT 4382/4885

“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.