SCHEMBL934645

SCHEMBL934645

N#Cc1ccc(F)c(NCc2cc3ccccc3o2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 3/20 0.41
CYP2A6 P11509 2/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
AGXT P21549 1/20 0.38
MAPT P10636 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
ACLY P53396 1/20 0.36
CYP19A1 P11511 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MMP2 P08253 1/20 0.33
MMP14 P50281 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
AR P10275 1/20 0.33
HTR1A P08908 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
SCHEMBL8026360 0.73 MAPT (0.51) CCR2CYP2A6LOXL2AGXTMAPT
SCHEMBL27707495 0.69 ADORA2A (0.40) CYP2A6LOXL2MEN1LMNAKMT2A
SCHEMBL1094238 0.68 LOXL2 (0.58) CYP2A6LOXL2AGXTMAOAMAOB
SCHEMBL5796888 0.68 HRH3 (0.50) CYP2A6LOXL2HRH3
SCHEMBL13736314 0.66 KAT2B (0.39) CYP2A6LOXL2MEN1KMT2AACLY
SCHEMBL3097816 0.65 LOXL2 (0.58) CYP2A6LOXL2MEN1KMT2AAGXT
SCHEMBL14021628 0.65 GAA (0.45) AGXTMMP2MMP14HTR1AHTR2B
SCHEMBL956024 0.65 PDE5A (0.48) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL9573693 0.65 PGR (0.44) CYP2A6MAPTHRH3
SCHEMBL2096423 0.65 CYP2A6 (0.43) CYP2A6MEN1KMT2AMAPTHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2454243-A2 TETRAZOLE DERIVATIVES Merck Serono SA (CH) 2012-05-23 EP disclosed
US-20120115869-A1 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2012-05-10 US disclosed
US-20120115869-A1 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2012-05-10 US disclosed
US-20120115869-A1 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2012-05-10 US disclosed
WO-2011006935-A2 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2011-01-20 WO disclosed
WO-2011006935-A2 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 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 (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-20120115869-A1 TETRAZOLE DERIVATIVES TSLP, IL5, CMA1 CCR2 3176/4885CYP2A6 194/4885LOXL2 1880/4885

“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.