SCHEMBL9898709

SCHEMBL9898709

CNc1cc(N2CCC(F)CC2)c(C(=O)Nc2ccc(F)c(Cl)c2)cc1N

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 1/20 0.50
PTGES O14684 6/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
MALT1 Q9UDY8 5/20 0.46
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
CHRM1 P11229 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
SCHEMBL9898506 0.85 MAPT (0.49) PTGESLMNAHTTSMN1; SMN2TP53
SCHEMBL9945036 0.85 ALDH1A1 (0.46) LMNAHTTSMN1; SMN2MAPTALDH1A1
SCHEMBL9944858 0.84 PTGES (0.50) FADS1PTGESLMNAHTTSMN1; SMN2
SCHEMBL1671148 0.83 LMNA (0.54) FADS1PTGESLMNAHTTSMN1; SMN2
SCHEMBL10170901 0.81 FADS1 (0.63) FADS1LMNAHTTSMN1; SMN2MAPT
SCHEMBL16448834 0.81 HTT (0.54) PTGESLMNAHTTSMN1; SMN2MAPT
SCHEMBL9946597 0.80 MAPT (0.48) PTGESTP53MAPT
SCHEMBL9944979 0.79 L3MBTL1 (0.41) LMNASMN1; SMN2MAPTNPC1RAB9A
SCHEMBL9944977 0.79 L3MBTL1 (0.41) LMNASMN1; SMN2MAPTNPC1RAB9A
SCHEMBL9944821 0.76 ALOX15 (0.39) PTGESMAPTNPC1RAB9AALDH1A1

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
US-8674113-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-18 US disclosed
US-8674113-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-18 US disclosed
US-8674113-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-18 US disclosed
US-20120149676-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 US disclosed
US-20120149676-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 US disclosed
US-20120149676-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 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-20120149676-A1 NOVEL COMPOUNDS PTGS1, PTGER1, PTGES FADS1 494/4885PTGES 3/4885LMNA 1817/4885

“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.