SCHEMBL14129042

SCHEMBL14129042

C(=N/c1ccccc1)\c1ccc(/C=N/c2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.69
L3MBTL1 Q9Y468 5/20 0.69
KDM4E B2RXH2 3/20 0.69
GLA P06280 1/20 0.69
PTGS2 P35354 2/20 0.64
PTGS1 P23219 1/20 0.64
CA2 P00918 6/20 0.57
CA1 P00915 5/20 0.57
S100B P04271 2/20 0.55
CA9 Q16790 3/20 0.53
CA12 O43570 1/20 0.53
MEN1 O00255 4/20 0.52
MAPT P10636 4/20 0.52
KMT2A Q03164 4/20 0.52
THRB P10828 3/20 0.52
MAPK1 P28482 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
TP53 P04637 1/20 0.52
ALOX15 P16050 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52

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
SCHEMBL59999 0.94 ALDH1A1 (0.63) ALDH1A1L3MBTL1KDM4EGLAPTGS2
SCHEMBL60000 0.94 ALDH1A1 (0.63) ALDH1A1L3MBTL1KDM4EGLAPTGS2
SCHEMBL13084384 0.94 ALDH1A1 (0.63) ALDH1A1L3MBTL1KDM4EGLAPTGS2
Water SCHEMBL15846002 0.92 ALDH1A1 (0.61) ALDH1A1L3MBTL1KDM4EGLAPTGS2
SCHEMBL22577661 0.92 ALDH1A1 (0.61) ALDH1A1L3MBTL1KDM4EGLAPTGS2
SCHEMBL1374708 0.92 ALDH1A1 (0.61) ALDH1A1L3MBTL1KDM4EGLAPTGS2
SCHEMBL9685935 0.92 ALDH1A1 (0.61) ALDH1A1L3MBTL1KDM4EGLAPTGS2
Ammonia Solution, Strong SCHEMBL2273341 0.92 ALDH1A1 (0.61) ALDH1A1L3MBTL1KDM4EGLAPTGS2
SCHEMBL340770 0.92 ALDH1A1 (0.61) ALDH1A1L3MBTL1KDM4EGLAPTGS2
SCHEMBL28312209 0.92 ALDH1A1 (0.61) ALDH1A1L3MBTL1KDM4EGLAPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120302720-A1 Novel Polyazomethine SOKEN CHEMICAL & ENGINEERING CO., LTD. (JP) 2012-11-29 US disclosed
US-7355075-B2 Reacting a compound of a hydroxyl functionality, a carbonyl functionality, or both a hydroxyl functionality and a carbonyl functionality with reactant having an amine functionality in the presence of ordered porous manganese-based octahedral molecular sieves and an oxygen gas THE UNIVERSITY OF CONNECTICUT (US) 2008-04-08 US disclosed
US-7355075-B2 Reacting a compound of a hydroxyl functionality, a carbonyl functionality, or both a hydroxyl functionality and a carbonyl functionality with reactant having an amine functionality in the presence of ordered porous manganese-based octahedral molecular sieves and an oxygen gas THE UNIVERSITY OF CONNECTICUT (US) 2008-04-08 US disclosed
US-20070027344-A1 METHOD OF PRODUCING IMINES THE UNIVERSITY OF CONNECTICUT (US) 2007-02-01 US disclosed
US-20070027344-A1 METHOD OF PRODUCING IMINES THE UNIVERSITY OF CONNECTICUT (US) 2007-02-01 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 (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-20070027344-A1 METHOD OF PRODUCING IMINES MT-CO2, INMT, SCO2 ALDH1A1 1989/4885L3MBTL1 4357/4885KDM4E 2592/4885

“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.