SCHEMBL1099648

SCHEMBL1099648

Nc1ccc(/C=C/c2ccncc2)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
SCHEMBL1099649 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-3674381-A1 ORGANIC OPTICAL MATERIAL Japan Science and Technology Agency (JP) 2020-07-01 EP disclosed
US-10300155-B2 Alpha-synuclein ligands WASHINGTON UNIVERSITY (US) 2019-05-28 US disclosed
US-9890187-B2 Prototype systems of theranostic biomarkers for in vivo molecular management of cancer EPOS-IASIS RESEARCH AND DEVELOPMENT, LTD. (CY) 2018-02-13 US disclosed
US-9890187-B2 Prototype systems of theranostic biomarkers for in vivo molecular management of cancer EPOS-IASIS RESEARCH AND DEVELOPMENT, LTD. (CY) 2018-02-13 US disclosed
US-20170189566-A1 ALPHA-SYNUCLEIN LIGANDS WASHINGTON UNIVERSITY (US) 2017-07-06 US disclosed
US-20160376298-A1 PROTOTYPE SYSTEMS OF THERANOSTIC BIOMARKERS FOR IN VIVO MOLECULAR MANAGEMENT OF CANCER EPOS-IASIS RESEARCH AND DEVELOPMENT, LTD (CY) 2016-12-29 US 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-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-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
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
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-10300155-B2 Alpha-synuclein ligands SNCA, PARK7, LRRK2 MAPT 58/4885NPC1 382/4885GFER 3408/4885
US-20160376298-A1 PROTOTYPE SYSTEMS OF THERANOSTIC BIOMARKERS FOR IN VIVO MOLECULAR MANAGEMENT OF CANCER TP53, MKI67, FLT3 MAPT 4308/4885NPC1 4408/4885GFER 4179/4885
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-20170189566-A1 ALPHA-SYNUCLEIN LIGANDS SNCA, PARK7, LRRK2 MAPT 58/4885NPC1 382/4885GFER 3408/4885

“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.