SCHEMBL5582365

SCHEMBL5582365

Nc1ccc(N=Nc2ncc([N+](=O)[O-])s2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.50
▸ HPGD P15428 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ KDR P35968 1/20 0.42
▸ RAB9A P51151 8/20 0.41
▸ MAPT P10636 7/20 0.41
▸ NPC1 O15118 7/20 0.41
▸ MEN1 O00255 5/20 0.41
▸ KMT2A Q03164 5/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ MAPK8 P45983 1/20 0.40
▸ MAPK9 P45984 1/20 0.40
▸ MAPK10 P53779 1/20 0.40
▸ CA12 O43570 1/20 0.39

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
SCHEMBL5582364 1.00 ALDH1A1 (0.50) ALDH1A1HPGDALOX15KDRRAB9A
SCHEMBL9869006 0.85 ALDH1A1 (0.42) ALDH1A1HPGDALOX15KDRRAB9A
SCHEMBL11616761 0.79 KDR (0.53) ALDH1A1HPGDALOX15KDRRAB9A
SCHEMBL21242513 0.76 MAPT (0.52) ALDH1A1HPGDRAB9AMAPTNPC1
SCHEMBL10604384 0.76 KDR (0.43) ALDH1A1HPGDALOX15KDRRAB9A
SCHEMBL10604380 0.76 KDR (0.43) ALDH1A1HPGDALOX15KDRRAB9A
SCHEMBL11133234 0.76 KDR (0.43) ALDH1A1HPGDALOX15KDRRAB9A
SCHEMBL11133238 0.76 KDR (0.43) ALDH1A1HPGDALOX15KDRRAB9A
SCHEMBL10604386 0.76 KDR (0.43) ALDH1A1HPGDALOX15KDRRAB9A
SCHEMBL15827073 0.75 KDR (0.54) ALDH1A1HPGDALOX15KDRRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021149703-A1 COLORED DISPERSION, RECORDING MEDIUM, AND TEXTILE PRINTING METHOD FOR HYDROPHOBIC FIBERS 日本化薬株式会社 2021-07-29 — — WO disclosed
US-7214752-B2 Homopolymers which exhibit a high level of photo-inducable birefringence BAYER MATERIALSCIENCE AG (DE) 2007-05-08 — — US disclosed
EP-0981558-B1 HOMOPOLYMERS WITH HIGH PHOTOINDUCEABLE DOUBLE REFRACTION BAYER MATERIALSCIENCE AG (DE) 2005-08-17 — — EP disclosed
US-6875833-B2 Monomers and homopolymers, having high photoinduceable double refraction, prepared therefrom BAYER AKTIENGESELLSCHAFT (DE) 2005-04-05 — — US disclosed
US-20050070678-A1 Homopolymers which exhibit a high level of photo-inducable birefringence BERNETH HORST (DE) 2005-03-31 — — US disclosed
US-20030083449-A1 Monomers and homopolymers, having high photoinduceable double refraction, prepared therefrom COVESTRO DEUTSCHLAND AG (DE) 2003-05-01 — — US disclosed
US-6441113-B1 HOMOPOLYMER OF A (METH)ACRYLATE ESTER OF AN AZOBENZENE-CONTAINING TRINUCLEAR GROUP OF GIVEN FORMULA; HIGH LEVEL OF BIREFRINGENCE INDUCED BY IRRADIATION; USE IN STORAGE OF OPTICAL INFORMATION BAYER AKTIENGESELLSCHAFT (DE) 2002-08-27 — — US disclosed
EP-0981558-A1 HOMOPOLYMERS WITH HIGH PHOTOINDUCEABLE DOUBLE REFRACTION Bayer Aktiengesellschaft (DE) 2000-03-01 — — EP disclosed
WO-1998051721-A1 HOMOPOLYMERS WITH HIGH PHOTOINDUCEABLE DOUBLE REFRACTION BAYER AKTIENGESELLSCHAFT (DE) 1998-11-19 — — 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-20050070678-A1 Homopolymers which exhibit a high level of photo-inducable birefringence PCNA, SMC4, PARN ALDH1A1 2182/4885HPGD 1441/4885ALOX15 3029/4885

“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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