SCHEMBL3237382

SCHEMBL3237382

O=C(c1ccccc1)N(CCc1ccc(C(F)(F)F)cc1)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.52
MLYCD O95822 2/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PLAAT3 P53816 1/20 0.45
PLAAT5 Q96KN8 1/20 0.45
PLAAT2 Q9NWW9 1/20 0.45
PLAAT4 Q9UL19 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SRD5A2 P31213 1/20 0.42
MDM2 Q00987 1/20 0.42
LTA4H P09960 1/20 0.41
EPHX2 P34913 1/20 0.41
MAPK14 Q16539 1/20 0.41
FFAR1 O14842 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
LPAR1 Q92633 1/20 0.41
LPAR5 Q9H1C0 1/20 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
SCHEMBL3232453 0.85 TRPM8 (0.53) MLYCDMEN1KMT2AMAPK14HDAC1
SCHEMBL3237258 0.78 TRPM8 (0.51) MEN1KMT2AHDAC1HDAC8
SCHEMBL29190281 0.77 HDAC1 (0.60) PDPK1MLYCDMEN1KMT2ANPC1
SCHEMBL658098 0.74 PDPK1 (0.67) PDPK1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL6229797 0.74 LPAR1 (0.56) MLYCDMEN1KMT2ALPAR1LPAR5
SCHEMBL7753564 0.74 MEN1 (0.55) PDPK1MLYCDMEN1KMT2ANPC1
SCHEMBL3577181 0.74 MEN1 (0.55) PDPK1MLYCDMEN1KMT2ANPC1
SCHEMBL27865861 0.72 MLYCD (0.46) MLYCDMEN1KMT2ANPC1RAB9A
SCHEMBL5969299 0.72 ESRRG (0.73) MLYCDPLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL10893829 0.72 CES1 (0.44) MLYCDMEN1KMT2A

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-7745477-B2 Heteroaryl and benzyl amide compounds HOFFMAN-LA ROCHE INC. (US) 2010-06-29 US disclosed
US-20070185058-A1 Heteroaryl and benzyl amide compounds HOFFMANN-LA ROCHE INC. 2007-08-09 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-20070185058-A1 Heteroaryl and benzyl amide compounds CYP1B1, CYP4B1, ABCG2 PDPK1 4192/4885MLYCD 1341/4885MEN1 1747/4885

“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.