SCHEMBL9944858

SCHEMBL9944858

CNc1cc(N2CCC(F)(F)C2)c(C(=O)Nc2ccc(F)c(Cl)c2)cc1N

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGES O14684 3/20 0.50
FADS1 O60427 1/20 0.47
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.40
EGFR P00533 1/20 0.40
PTPN11 Q06124 1/20 0.40
KMT2A Q03164 1/20 0.40
HPGD P15428 1/20 0.40
MAPT P10636 1/20 0.40
KIF18A Q8NI77 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CHRM1 P11229 1/20 0.38

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
SCHEMBL9944857 0.86 PTGES (0.48) PTGESFADS1LMNAHTTNPC1
SCHEMBL9898709 0.84 FADS1 (0.50) PTGESFADS1LMNAHTTNPC1
SCHEMBL9944981 0.80 KIF18A (0.45) LMNASMN1; SMN2ALDH1A1KMT2AHPGD
SCHEMBL10170901 0.79 FADS1 (0.63) FADS1LMNAHTTNPC1RAB9A
SCHEMBL9944831 0.77 FADS1 (0.51) PTGESFADS1LMNAHTTNPC1
SCHEMBL9897859 0.76 KDM4E (0.38) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL9946656 0.75 PTGES (0.48) PTGESHTTNPC1SMN1; SMN2MAPT
SCHEMBL9944744 0.74 PTGES (0.38) PTGESNPC1RAB9A
SCHEMBL9944835 0.74 FADS1 (0.56) FADS1LMNANPC1RAB9ASMN1; SMN2
SCHEMBL11992718 0.72 EGFR (0.57) FADS1LMNAHTTNPC1RAB9A

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-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
WO-2012076673-A1 6-AMINO-2-PHENYLAMINO-1H-BENZIMIDAZOLE-5-CARBOXAMIDE- DERIVATIVES AND THEIR USE AS MICROSOMAL PROSTAGLANDIN E2 SYNTHASE-1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 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-20120149676-A1 NOVEL COMPOUNDS PTGS1, PTGER1, PTGES PTGES 3/4885FADS1 494/4885LMNA 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.