SCHEMBL3900734

SCHEMBL3900734

C(=C/c1ccccc1N(c1ccccc1)c1ccccc1)\c1ccccc1N(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
TDP1 Q9NUW8 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NFE2L2 Q16236 4/20 0.37
TRPA1 O75762 2/20 0.35
APP P05067 2/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CRHBP P24387 1/20 0.33
ATM Q13315 1/20 0.33
CRHR2 Q13324 1/20 0.33
TLR9 Q9NR96 1/20 0.33
KCNA3 P22001 1/20 0.32

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
SCHEMBL1861624 0.92 NFE2L2 (0.48) NFE2L2TRPA1APPMEN1KMT2A
SCHEMBL6405637 0.92 NFE2L2 (0.48) NFE2L2TRPA1APPMEN1KMT2A
SCHEMBL6031700 0.92 NFE2L2 (0.48) NFE2L2TRPA1APPMEN1KMT2A
SCHEMBL27661663 0.88 RELA (0.50) NFE2L2TRPA1APPTRPM8RELA
SCHEMBL21647821 0.88 RELA (0.50) NFE2L2TRPA1APPTRPM8RELA
SCHEMBL28181696 0.88 ALDH1A1 (0.41) ALDH1A1TDP1L3MBTL1KDM4ECYP1A2
SCHEMBL22711285 0.88 RELA (0.50) NFE2L2TRPA1APPTRPM8RELA
SCHEMBL24631161 0.87 ALDH1A1 (0.34) ALDH1A1TDP1L3MBTL1KDM4ECYP1A2
SCHEMBL27619456 0.84 KDM4E (0.32) ALDH1A1TDP1L3MBTL1KDM4ECYP1A2
SCHEMBL14196523 0.84 NFE2L2 (0.42) ALDH1A1TDP1L3MBTL1KDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150359884-A1 MULTI-PHOTON ISOMERISATION OF COMBRETASTATINS AND THEIR USE IN THERAPY BISBY ROGER H (GB) 2015-12-17 US disclosed
EP-1297021-B1 MULTIPHOTON PHOTOSENSITIZATION SYSTEM 3M INNOVATIVE PROPERTIES CO (US) 2009-03-18 EP disclosed
US-7091255-B2 Multiphoton photosensitization system 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-08-15 US disclosed
US-20050054744-A1 Multiphoton photosensitization system 3M INNOVATIVE PROPERTIES COMPANY 2005-03-10 US disclosed
US-6852766-B1 Multiphoton photosensitization system 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-02-08 US disclosed
EP-1297021-A2 MULTIPHOTON PHOTOSENSITIZATION SYSTEM 3M Innovative Properties Company (US) 2003-04-02 EP disclosed
WO-2001096409-A2 MULTIPHOTON PHOTOSENSITIZATION SYSTEM 3M INNOVATIVE PROPERTIES COMPANY (US) 2001-12-20 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-20150359884-A1 MULTI-PHOTON ISOMERISATION OF COMBRETASTATINS AND THEIR USE IN THERAPY SLC5A6, FLT4, FOLR2 ALDH1A1 2119/4885TDP1 1416/4885L3MBTL1 2721/4885

“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.