SCHEMBL1099649

SCHEMBL1099649

Nc1ccc(C=Cc2ccncc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.61
NPC1 O15118 5/20 0.61
GFER P55789 1/20 0.61
CYP19A1 P11511 5/20 0.58
MAOA P21397 1/20 0.58
MAOB P27338 1/20 0.58
SMN1; SMN2 Q16637 4/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
CYP2D6 P10635 2/20 0.57
ALDH1A1 P00352 2/20 0.57
LMNA P02545 1/20 0.57
CHRM1 P11229 1/20 0.57
TSHR P16473 1/20 0.57
MAPK1 P28482 1/20 0.57
KCNA1 Q09470 1/20 0.57
APP P05067 2/20 0.56
RAB9A P51151 4/20 0.54
HPGD P15428 2/20 0.54
CYP1A2 P05177 2/20 0.54

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
SCHEMBL1099648 1.00 MAPT (0.61) MAPTNPC1GFERCYP19A1MAOA
SCHEMBL9966009 0.87 MAPT (0.65) MAPTNPC1GFERSMN1; SMN2MEN1
SCHEMBL135604 0.87 MAPT (0.65) MAPTNPC1GFERSMN1; SMN2MEN1
SCHEMBL10459178 0.84 CYP19A1 (0.78) MAPTNPC1CYP19A1MAOAMAOB
SCHEMBL7646748 0.84 CYP19A1 (0.78) MAPTNPC1CYP19A1MAOAMAOB
SCHEMBL138489 0.84 MAPT (0.61) MAPTNPC1GFERCYP19A1SMN1; SMN2
SCHEMBL65443 0.84 CYP19A1 (0.78) MAPTNPC1CYP19A1MAOAMAOB
SCHEMBL9680836 0.84 CYP19A1 (0.78) MAPTNPC1CYP19A1MAOAMAOB
SCHEMBL65444 0.84 CYP19A1 (0.78) MAPTNPC1CYP19A1MAOAMAOB
SCHEMBL107198 0.84 MAPT (0.61) MAPTNPC1GFERCYP19A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2459735-B1 NOVEL PEPTIDASE SUBSTRATES BIOMERIEUX SA (FR) 2014-10-08 EP disclosed
US-8772048-B2 Fluorogenic compounds converted to fluorophores by photochemical or chemical means and their use in biological systems KENT STATE UNIVERSITY (US) 2014-07-08 US disclosed
US-8535901-B2 Peptidase substrates bioMérieux, S.A. 2013-09-17 US disclosed
US-20120190098-A1 FLUOROGENIC COMPOUNDS CONVERTED TO FLUOROPHORES BY PHOTOCHEMICAL OR CHEMICAL MEANS AND THEIR USE IN BIOLOGICAL SYSTEMS LELAND STANFORD JUNIOR UNIVERSITY (US) 2012-07-26 US disclosed
EP-2459735-A2 NOVEL PEPTIDASE SUBSTRATES Biomérieux (FR) 2012-06-06 EP disclosed
US-20120122134-A1 Novel Peptidase Substrates BIOMERIEUX SA (FR) 2012-05-17 US disclosed
US-8153446-B2 Fluorogenic compounds converted to fluorophores by photochemical or chemical means and their use in biological systems KENT STATE UNIVERSITY (US) 2012-04-10 US disclosed
WO-2011012811-A2 NOVEL PEPTIDASE SUBSTRATES bioMérieux (FR) 2011-02-03 WO disclosed
US-20100029952-A1 Fluorogenic compounds converted to fluorophores by photochemical or chemical means and their use in biological systems KENT STATE UNIVERSITY (US) 2010-02-04 US disclosed
EP-0290591-B1 MATERIALS WITH NITROGENOUS SIX-MEMBERED RINGS MERCK PATENT GmbH (DE) 1991-03-13 EP disclosed
EP-0290591-A1 MATERIALS WITH NITROGENOUS SIX-MEMBERED RINGS. MERCK PATENT GMBH (DE) 1988-11-17 EP disclosed
WO-1988004305-A1 MATERIALS WITH NITROGENOUS SIX-MEMBERED RINGS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1988-06-16 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 (3 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-20120190098-A1 FLUOROGENIC COMPOUNDS CONVERTED TO FLUOROPHORES BY PHOTOCHEMICAL OR CHEMICAL MEANS AND THEIR USE IN BIOLOGICAL SYSTEMS MPI, ACR, PFAS MAPT 2134/4885NPC1 3105/4885GFER 530/4885
US-20100029952-A1 Fluorogenic compounds converted to fluorophores by photochemical or chemical means and their use in biological systems MPI, ACR, PFAS MAPT 2134/4885NPC1 3105/4885GFER 530/4885
US-20120122134-A1 Novel Peptidase Substrates CPA4, CTRL, CPB1 MAPT 4872/4885NPC1 1367/4885GFER 716/4885

“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.