SCHEMBL13475898

SCHEMBL13475898

[N-]=[N+]=Nc1ccc(/C=C/c2ccncc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP51A1 Q16850 4/20 0.45
▸ NPC1 O15118 4/20 0.44
▸ MAPT P10636 4/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ HPGD P15428 2/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ CASP1 P29466 1/20 0.44
▸ HBB P68871 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ ALOX5 P09917 3/20 0.42
▸ KDM1A O60341 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41

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
SCHEMBL13882617 0.88 CA1 (0.47) CYP51A1CA1CA2CA5ACA9
SCHEMBL23854165 0.88 CA1 (0.47) CYP51A1CA1CA2CA5ACA9
SCHEMBL13649287 0.81 — —
SCHEMBL18130122 0.78 NQO2 (0.48) NPC1MAPTRAB9ASMN1; SMN2HPGD
SCHEMBL18130123 0.78 NQO2 (0.48) NPC1MAPTRAB9ASMN1; SMN2HPGD
SCHEMBL24211777 0.78 CYP19A1 (0.48) CYP51A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL28674817 0.78 ALOX5 (0.52) CYP51A1MAPTSMN1; SMN2CYP3A4CYP2D6
SCHEMBL18845153 0.76 CA1 (0.41) CYP51A1CA1CA2CA5ACA9
SCHEMBL13668357 0.76 TP53 (0.42) CYP51A1KDM4ECYP3A4ALDH1A1CA1
SCHEMBL29443898 0.76 CA1 (0.41) CYP51A1CA1CA2CA5ACA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (2 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 CYP51A1 2557/4885NPC1 3105/4885MAPT 2134/4885
US-20100029952-A1 Fluorogenic compounds converted to fluorophores by photochemical or chemical means and their use in biological systems MPI, ACR, PFAS CYP51A1 2557/4885NPC1 3105/4885MAPT 2134/4885

“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.

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