SCHEMBL1687870

SCHEMBL1687870

CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3F)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.69
▸ KMT2A Q03164 3/20 0.69
▸ TDP1 Q9NUW8 1/20 0.69
▸ TRPV1 Q8NER1 6/20 0.64
▸ SMN1; SMN2 Q16637 5/20 0.64
▸ LMNA P02545 2/20 0.63
▸ HDAC3 O15379 1/20 0.61
▸ HDAC11 Q96DB2 1/20 0.61
▸ HDAC8 Q9BY41 1/20 0.61
▸ HDAC6 Q9UBN7 1/20 0.61
▸ RAB9A P51151 4/20 0.60
▸ NPC1 O15118 3/20 0.60
▸ TP53 P04637 2/20 0.60
▸ THRB P10828 1/20 0.60
▸ MAPT P10636 2/20 0.58
▸ GAA P10253 1/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.58
▸ KCNK9 Q9NPC2 1/20 0.57
▸ PPARG P37231 1/20 0.57
▸ NR1H4 Q96RI1 1/20 0.57

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
SCHEMBL15257990 0.84 SMN1; SMN2 (0.82) MEN1KMT2ATRPV1SMN1; SMN2HDAC3
SCHEMBL5222902 0.84 NR1H4 (0.67) MEN1KMT2ATDP1TRPV1PPARG
SCHEMBL1687877 0.83 SMO (0.73) TRPV1SMN1; SMN2HDAC3HDAC11HDAC8
SCHEMBL7303163 0.83 HDAC3 (0.86) MEN1KMT2ATRPV1SMN1; SMN2LMNA
SCHEMBL12334059 0.82 MEN1 (0.67) MEN1KMT2ATDP1SMN1; SMN2LMNA
SCHEMBL1687868 0.82 TRPV1 (0.76) MEN1KMT2ATRPV1SMN1; SMN2HDAC3
SCHEMBL21652312 0.82 TRPV1 (0.76) MEN1KMT2ATRPV1SMN1; SMN2HDAC3
SCHEMBL7301130 0.82 TRPV1 (0.76) MEN1KMT2ATRPV1SMN1; SMN2HDAC3
SCHEMBL6816843 0.81 KMT2A (0.55) MEN1KMT2ATDP1TRPV1SMN1; SMN2
SCHEMBL7302565 0.81 KCNK9 (0.76) MEN1KMT2ATRPV1SMN1; SMN2HDAC3

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-20130245275-A1 PHENYL DIAMIDES AND A PHARMACEUTICAL PREPARATION COMPRISING PHENYL DIAMIDES RHEINISCHE FRIEDRICH-WILHELMS UNIVERSITAET BONN (DE) 2013-09-19 — — US disclosed
US-20130245275-A1 PHENYL DIAMIDES AND A PHARMACEUTICAL PREPARATION COMPRISING PHENYL DIAMIDES RHEINISCHE FRIEDRICH-WILHELMS UNIVERSITAET BONN (DE) 2013-09-19 — — US disclosed
WO-2012045734-A1 PHENYL DIAMIDES AND A PHARMACEUTICAL PREPARATION COMPRISING PHENYL DIAMIDES RHEINISCHE FRIEDRICH-WILHELMS UNIVERSITÄT (DE) 2012-04-12 — — 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-20130245275-A1 PHENYL DIAMIDES AND A PHARMACEUTICAL PREPARATION COMPRISING PHENYL DIAMIDES QDPR, DDT, DDC MEN1 327/4885KMT2A 1017/4885TDP1 373/4885

“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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