SCHEMBL10213156

SCHEMBL10213156

Cc1nc(C(F)(F)F)c(C(=O)Nc2cccc(-c3ccc(Cl)c(Cl)c3)c2)s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.56
▸ MEN1 O00255 3/20 0.56
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ CNR1 P21554 1/20 0.46
▸ GAA P10253 1/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ NR1H4 Q96RI1 1/20 0.45
▸ MAPT P10636 6/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ PKM P14618 1/20 0.43
▸ POLB P06746 2/20 0.42
▸ HPGD P15428 1/20 0.42

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
SCHEMBL13186255 0.86 RAB9A (0.66) KMT2AMEN1SMN1; SMN2RAB9ANPC1
SCHEMBL16656789 0.83 SMN1; SMN2 (0.48) KMT2AMEN1SMN1; SMN2RAB9ANPC1
SCHEMBL557468 0.82 MAPT (0.45) KMT2AMEN1SMN1; SMN2RAB9ANPC1
SCHEMBL12424048 0.82 MEN1 (0.43) KMT2AMEN1SMN1; SMN2RAB9ANPC1
SCHEMBL21652300 0.79 KMT2A (0.65) KMT2AMEN1SMN1; SMN2RAB9ANPC1
SCHEMBL2202643 0.79 CHRM3 (0.44) KMT2AMEN1SMN1; SMN2GAAMAPT
SCHEMBL2427404 0.77 NTRK1 (0.44) KMT2AMEN1SMN1; SMN2GAAMAPT
SCHEMBL14564410 0.76 MAPT (0.44) KMT2AMEN1SMN1; SMN2RAB9ANPC1
SCHEMBL14564442 0.76 MAPT (0.44) KMT2AMEN1SMN1; SMN2RAB9ANPC1
SCHEMBL5165138 0.75 CHRNA7 (0.47) KMT2AMEN1SMN1; SMN2RAB9ANPC1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9012360-B2 Synergistic combinations of active ingredients BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-21 — — US disclosed
US-20120035050-A1 Synergistic Combinations Of Active Ingredients BAYER CROPSCIENCE AG (DE) 2012-02-09 — — US disclosed
US-20110166109-A1 Synergistic Active Compound Combinations Comprising Phenyltriazoles BAYER CROPSCIENCE AG (DE) 2011-07-07 — — US disclosed
US-20110166109-A1 Synergistic Active Compound Combinations Comprising Phenyltriazoles BAYER CROPSCIENCE AG (DE) 2011-07-07 — — US disclosed
WO-2011006603-A2 SYNERGISTIC ACTIVE SUBSTANCE COMBINATIONS CONTAINING PHENYL TRIAZOLES BAYER CROPSCIENCE AG (DE) 2011-01-20 — — 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 (2 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-20120035050-A1 Synergistic Combinations Of Active Ingredients C1S, MAN2B1, MANBA KMT2A 4084/4885MEN1 493/4885SMN1; SMN2 3057/4885
US-20110166109-A1 Synergistic Active Compound Combinations Comprising Phenyltriazoles NAT1, ACAT1, CAT KMT2A 1304/4885MEN1 2107/4885SMN1; SMN2 4417/4885

“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.

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