Sugi Predict

Sugi Predict / Compounds / SCHEMBL258907

SCHEMBL258907

SCHEMBL258907

NCc1ccc(Nc2ccc(CN)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.55
▸ LOXL2 Q9Y4K0 7/20 0.52
▸ ABAT P80404 1/20 0.50
▸ TAAR1 Q96RJ0 1/20 0.46
▸ TPSAB1 Q15661 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ PTGS1 P23219 1/20 0.43
▸ SLC6A2 P23975 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ PTGS2 P35354 1/20 0.43
▸ HTR2B P41595 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ HDAC3 O15379 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ NCOR2 Q9Y618 1/20 0.43

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
SCHEMBL1459020 0.97 HRH3 (0.52) HRH3LOXL2ABATTAAR1TPSAB1
SCHEMBL185931 0.90 ALDH1A1 (0.62) HRH3LOXL2TAAR1ALDH1A1ALOX15
SCHEMBL28406911 0.90 LOXL2 (0.71) HRH3LOXL2ABATTAAR1ALDH1A1
SCHEMBL185639 0.88 LOXL2 (0.73) HRH3LOXL2ABATTAAR1
SCHEMBL25199389 0.82 HRH3 (0.39) HRH3LOXL2ABATTAAR1F11
SCHEMBL186342 0.82 GAA (0.68) TAAR1ALDH1A1ALOX12MAPK1TDP1
SCHEMBL15828 0.80 HRH3 (0.79) HRH3LOXL2ABATTAAR1F10
SCHEMBL22990410 0.80 HRH3 (0.52) HRH3LOXL2ABATTAAR1TPSAB1
SCHEMBL25183904 0.79 HTR2A (0.58) ALDH1A1ALOX12PTGS1SLC6A2MAPK1
SCHEMBL25189886 0.78 NPC1 (0.42) HRH3LOXL2TAAR1HDAC3HDAC6

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102718731-B 4 /5-methyl-1, 2, 3-thiadiazole formic acid derivative and preparation method thereof TIANJIN UNIVERSITY OF COMMERCE (CN) 2014-10-01 — — CN claimed
CN-104298073-B Colored curable resin composition 东友精细化工有限公司 2019-11-29 — — CN disclosed
CN-105637416-B Method for making photochromic optical articles using organic solvent pretreatment and photochromic coatings 光学转变公司 2019-11-12 — — CN disclosed
CN-107438514-B Optical article with photoluminescent indicia 光学转变公司 2019-10-18 — — CN disclosed
CN-106661207-B High-molecular compound and the light-emitting component for using it 住友化学株式会社 2019-10-15 — — CN disclosed
CN-106165138-B Organic illuminating element, material of main part, luminescent material and compound 九州有机光材股份有限公司 2019-07-09 — — CN disclosed
CN-107210380-B Composition and the light-emitting component for using the composition 住友化学株式会社 2019-06-28 — — CN disclosed
CN-107534089-B Light-emitting element and composition used in the same 住友化学株式会社 2019-06-14 — — CN disclosed
CN-106415872-B Light-emitting component 住友化学株式会社 2019-05-28 — — CN disclosed
CN-106715520-B Polymer compound and light-emitting element using same 住友化学株式会社 2019-05-14 — — CN disclosed
CN-103454859-A Colored curable resin composition SUMITOMO CHEMICAL CO 2013-12-18 — — CN disclosed
EP-2475534-B1 COMPOSITIONS AND METHODS FOR PRODUCING POLY-AMINOFUNCTIONALIZED POLYMERIZATION INITIATORS AND CORRESPONDING POLYMERS BRIDGESTONE CORP (JP) 2013-10-23 — — EP disclosed
US-20120259056-A1 COMPOSITIONS AND METHOD FOR PRODUCING POLY-AMINOFUNCTIONALIZED POLYMERIZATION INITIATORS AND CORRESPONDING POLYMERS BRIDGESTONE CORPORATION (JP) 2012-10-11 — — US disclosed
EP-2475534-A1 COMPOSITIONS AND METHODS FOR PRODUCING POLY-AMINOFUNCTIONALIZED POLYMERIZATION INITIATORS AND CORRESPONDING POLYMERS Bridgestone Corporation (JP) 2012-07-18 — — EP disclosed
US-8134028-B2 Method for producing 1,2-diamino-3-methylcyclohexane and/or 1,2-diamino-4-methylcyclohexane BASF SE (DE) 2012-03-13 — — US disclosed
WO-2011031943-A1 COMPOSITIONS AND METHODS FOR PRODUCING POLY-AMINOFUNCTIONALIZED POLYMERIZATION INITIATORS AND CORRESPONDING POLYMERS BRIDGESTONE CORPORATION (JP) 2011-03-17 — — WO disclosed
US-20090253938-A1 Method for Producing 1,2-Diamino-3-Methylcyclohexane and/or 1,2-Diamino-4-Methylcyclohexane BASF AKTIENGESELLSCHAFT (DE) 2009-10-08 — — US disclosed
EP-1828097-B1 METHOD FOR PRODUCING 1,2-DIAMINO-3-METHYLCYCLOHEXANE AND/OR 1,2-DIAMINO-4-METHYLCYCLOHEXANE BASF SE (DE) 2008-05-07 — — EP disclosed
EP-1828097-A1 METHOD FOR PRODUCING 1,2-DIAMINO-3-METHYLCYCLOHEXANE AND/OR 1,2-DIAMINO-4-METHYLCYCLOHEXANE BASF AKTIENGESELLSCHAFT (DE) 2007-09-05 — — EP disclosed
WO-2006066762-A1 METHOD FOR PRODUCING 1,2-DIAMINO-3-METHYLCYCLOHEXANE AND/OR 1,2-DIAMINO-4-METHYLCYCLOHEXANE BASF AKTIENGESELLSCHAFT (DE) 2006-06-29 — — 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-20120259056-A1 COMPOSITIONS AND METHOD FOR PRODUCING POLY-AMINOFUNCTIONALIZED POLYMERIZATION INITIATORS AND CORRESPONDING POLYMERS PARG, PARN, PAM HRH3 538/4885LOXL2 2170/4885ABAT 1984/4885

“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.