SCHEMBL6482005

SCHEMBL6482005

Cc1cc2[nH]c(-c3ccc(N)cc3)nc2cc1N

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.64
SMN1; SMN2 Q16637 10/20 0.64
MAPT P10636 10/20 0.64
NPC1 O15118 10/20 0.64
KDM4E B2RXH2 9/20 0.64
RAB9A P51151 9/20 0.64
MEN1 O00255 7/20 0.64
KMT2A Q03164 7/20 0.64
GAA P10253 5/20 0.64
GLA P06280 4/20 0.64
GFER P55789 4/20 0.64
RXFP1 Q9HBX9 3/20 0.64
RECQL P46063 2/20 0.64
MMP2 P08253 1/20 0.61
MMP9 P14780 1/20 0.61
MMP8 P22894 1/20 0.61
MMP13 P45452 1/20 0.61
CACNA1B Q00975 2/20 0.61
APBA1 Q02410 2/20 0.61
HPGD P15428 7/20 0.60

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
SCHEMBL6482012 0.94 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2MAPTNPC1KDM4E
SCHEMBL6325549 0.90 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2MAPTNPC1KDM4E
SCHEMBL15443951 0.85 MEN1 (0.79) ALDH1A1SMN1; SMN2MAPTNPC1KDM4E
SCHEMBL21087323 0.84 NPC1 (0.55) ALDH1A1SMN1; SMN2MAPTNPC1KDM4E
SCHEMBL15443910 0.83 MEN1 (0.77) ALDH1A1SMN1; SMN2MAPTNPC1KDM4E
SCHEMBL15496393 0.83 NPC1 (0.66) ALDH1A1SMN1; SMN2MAPTNPC1KDM4E
SCHEMBL11443268 0.81 MEN1 (0.65) ALDH1A1SMN1; SMN2MAPTNPC1KDM4E
SCHEMBL6322764 0.79 ALDH1A1 (0.76) ALDH1A1SMN1; SMN2MAPTNPC1KDM4E
SCHEMBL2245390 0.79 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2MAPTNPC1KDM4E
SCHEMBL21086936 0.79 NPBWR1 (0.61) ALDH1A1SMN1; SMN2MAPTNPC1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200093852-A1 Methods of Treating Ocular Disorders Beta Therapeutics Pty Ltd (AU) 2020-03-26 US disclosed
US-20050260126-A1 Diagnostic probes and remedies for diseases with accumulation of prion protein, and stains for prion protein BF RESEARCH INSTITUTE (JP) 2005-11-24 US disclosed
US-4225492-A Water-soluble disazo dyestuffs, prepared from unsymmetrical heterocyclic diamines CASSELLA AKTIENGESELLSCHAFT (DE) 1980-09-30 US disclosed
US-4144231-A Soluble trisazo dyestuffs containing a 2-phenyl-benzimidazolyl, -benzoxazolyl or -benzthiazolyl middle component CASSELLA AKTIENGESELLSCHAFT (DE) 1979-03-13 US disclosed
US-4144230-A Soluble trisazo dyestuffs containing a 2-phenyl-benzimidazolyl, -benzoxazolyl or -benzthiazolyl middle component CASSELLA AKTIENGESELLSCHAFT (DE) 1979-03-13 US disclosed
US-4143033-A WATER-SOLUBLE DISAZO DYESTUFFS CONTAINING A 2-PHENYL-BENZIMIDAZOLYL,-BENZOXAZOLYL OR-BENZTHIAZOLYL MIDDLE COMPONENT CASSELLA AKTIENGESELLSCHAFT (DE) 1979-03-06 US disclosed
US-4137228-A HIGH TINCTORIAL STRENGTH, COLORFASTNESS CASSELLA AKTIENGESELLSCHAFT (DE) 1979-01-30 US disclosed
US-4033945-A Water-soluble trisazo 8-amino-naphthol-1 dyes CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DT) 1977-07-05 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-20200093852-A1 Methods of Treating Ocular Disorders ALDH1A2, HPSE, RB1 ALDH1A1 2240/4885SMN1; SMN2 4502/4885MAPT 1927/4885
US-20050260126-A1 Diagnostic probes and remedies for diseases with accumulation of prion protein, and stains for prion protein PRNP, PRPH, PCNP ALDH1A1 1577/4885SMN1; SMN2 214/4885MAPT 7/4885

“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.