Sugi Predict

Sugi Predict / Compounds / SCHEMBL3386913

SCHEMBL3386913

SCHEMBL3386913

C=CCc1cccc(-c2ccccc2N)c1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.50
▸ GABRB2 P47870 1/20 0.50
▸ ALDH1A1 P00352 4/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ AKR1B1 P15121 1/20 0.40
▸ HSD17B10 Q99714 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34

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
SCHEMBL1646862 0.89 GABRA1 (0.53) GABRA1GABRB2ALDH1A1L3MBTL1AKR1B1
SCHEMBL1646926 0.87 ALDH1A1 (0.52) GABRA1GABRB2ALDH1A1L3MBTL1AKR1B1
SCHEMBL1646866 0.84 GABRA1 (0.49) GABRA1GABRB2ALDH1A1L3MBTL1AKR1B1
SCHEMBL30582776 0.83 GABRA1 (0.48) GABRA1GABRB2ALDH1A1L3MBTL1AKR1B1
SCHEMBL1072787 0.83 GABRA1 (0.48) GABRA1GABRB2ALDH1A1L3MBTL1AKR1B1
SCHEMBL1646927 0.82 GABRA1 (0.50) GABRA1GABRB2ALDH1A1AKR1B1HSD17B10
SCHEMBL167075 0.80 GABRA1 (0.54) GABRA1GABRB2ALDH1A1L3MBTL1AKR1B1
SCHEMBL11052 0.78 GABRA1 (0.47) GABRA1GABRB2ALDH1A1L3MBTL1AKR1B1
SCHEMBL3793229 0.77 ALDH1A1 (0.54) ALDH1A1L3MBTL1HSD17B10KDM4ECYP3A4
Hydrochloric Acid SCHEMBL5940132 0.77 GABRA1 (0.45) GABRA1GABRB2ALDH1A1AKR1B1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8865273-B2 Photoalignment compound, photoalignment composition, display substrate having an alignment layer, and method for manufacturing the display substrate SAMSUNG DISPLAY CO., LTD. (KR) 2014-10-21 — — US claimed
US-20120301628-A1 PHOTOALIGNMENT COMPOUND, PHOTOALIGNMENT COMPOSITION, DISPLAY SUBSTRATE HAVING AN ALIGNMENT LAYER, AND METHOD FOR MANUFACTURING THE DISPLAY SUBSTRATE JO SUNG-CHAN (KR) 2012-11-29 — — US claimed
US-20100141862-A1 PHOTOALIGNMENT COMPOUND, PHOTOALIGNMENT COMPOSITION, DISPLAY SUBSTRATE HAVING AN ALIGNMENT LAYER, AND METHOD FOR MANUFACTURING THE DISPLAY SUBSTRATE SAMSUNG DISPLAY CO., LTD. (KR) 2010-06-10 — — US claimed

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-20100141862-A1 PHOTOALIGNMENT COMPOUND, PHOTOALIGNMENT COMPOSITION, DISPLAY SUBSTRATE HAVING AN ALIGNMENT LAYER, AND METHOD FOR MANUFACTURING THE DISPLAY SUBSTRATE PKN3, MARK3, MCHR1 GABRA1 2529/4885GABRB2 3426/4885ALDH1A1 2854/4885
US-20120301628-A1 PHOTOALIGNMENT COMPOUND, PHOTOALIGNMENT COMPOSITION, DISPLAY SUBSTRATE HAVING AN ALIGNMENT LAYER, AND METHOD FOR MANUFACTURING THE DISPLAY SUBSTRATE PKN3, MARK3, MCHR1 GABRA1 2554/4885GABRB2 3445/4885ALDH1A1 2888/4885

“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.