SCHEMBL12880436

SCHEMBL12880436

Fc1ccccc1CNCc1ccc(-c2nnn[nH]2)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
PDGFRB P09619 1/20 0.35
KDR P35968 1/20 0.35
MPO P05164 1/20 0.35
KDM4E B2RXH2 1/20 0.34
THRB P10828 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.34
CXCR3 P49682 1/20 0.34
MAPK1 P28482 1/20 0.34
MC5R P33032 1/20 0.34
METTL3 Q86U44 1/20 0.33
CHEK1 O14757 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
SCHEMBL12880057 0.84 CA1 (0.37) MEN1KMT2AALDH1A1CA1CA2
SCHEMBL1169407 0.78 CXCR3 (0.54) MEN1KMT2AALDH1A1KDM4ECXCR3
SCHEMBL14709912 0.74 ALDH1A1 (0.33) ALDH1A1KDM4ESMN1; SMN2MAPK1
SCHEMBL17335669 0.72 P2RX7 (0.38)
SCHEMBL1773738 0.72 DCUN1D1 (0.47) KMT2AALDH1A1KDM4E
SCHEMBL31023996 0.72 DCUN1D1 (0.47) KMT2AALDH1A1KDM4E
SCHEMBL13649396 0.71 CXCR3 (0.58) KDM4EGPBAR1CXCR3
SCHEMBL12863215 0.71 CXCR3 (0.71) MEN1KMT2ASMN1; SMN2CXCR3
SCHEMBL20804369 0.70 MPO (0.51) MEN1KMT2AALDH1A1CA1CA2
SCHEMBL13649453 0.70 CA1 (0.46) MEN1KMT2AALDH1A1CA1CA2

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-20110028509-A1 Sulfonamides MERCK SERONO SA (CH) 2011-02-03 US disclosed
WO-2009124962-A2 SULFONAMIDES MERCK SERONO S.A. (CH) 2009-10-15 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-20110028509-A1 Sulfonamides CXCR3, CXCR2, CXCR1 MEN1 4478/4885KMT2A 1412/4885ALDH1A1 716/4885

“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.