SCHEMBL3081933

SCHEMBL3081933

COCOc1cccc(N)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
ADRA2B P18089 1/20 0.41
PTGS1 P23219 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PTPN1 P18031 1/20 0.41
TP53 P04637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
IDO1 P14902 1/20 0.38
MMP2 P08253 1/20 0.36

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
SCHEMBL23059556 0.85 CYP1A2 (0.51) ALDH1A1ADRA2BPTGS1TDP1PTPN1
SCHEMBL23041032 0.82 LMNA (0.59) ALDH1A1TDP1PTPN1TP53KDM4E
SCHEMBL845927 0.81 ALDH1A1 (0.64) ALDH1A1TP53KDM4ECYP3A4MAPT
SCHEMBL11204587 0.80 ALDH1A1 (0.63) ALDH1A1ADRA2BPTGS1TDP1PTPN1
SCHEMBL30417463 0.79 PTPN1 (0.41) ALDH1A1TDP1PTPN1TP53KDM4E
SCHEMBL21262585 0.79 PTPN1 (0.41) ALDH1A1TDP1PTPN1TP53KDM4E
SCHEMBL28111956 0.79 TSHR (0.48) ALDH1A1ADRA2BPTGS1TDP1PTPN1
SCHEMBL29617909 0.78 PTPN1 (0.42) ALDH1A1ADRA2BPTGS1TDP1PTPN1
SCHEMBL845933 0.78 KDM4E (0.64) ALDH1A1ADRA2BPTGS1TDP1TP53
SCHEMBL24596979 0.78 ALDH1A1 (0.41) ALDH1A1ADRA2BPTGS1TDP1PTPN1

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
EP-1661892-B1 CONDENSED RING COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO (JP) 2013-07-24 EP disclosed
US-8318952-B2 Substituted indole derivatives for the treatment of respiratory diseases ONO PHARMACEUTICAL CO., LTD. (JP) 2012-11-27 US disclosed
EP-2481732-A1 Condensed ring compound and use thereof Ono Pharmaceutical Co., Ltd. (JP) 2012-08-01 EP disclosed
US-20100234368-A1 CONDENSED RING COMPOUND AND USE THEREOF TAKEUCHI JUN 2010-09-16 US disclosed
US-7763610-B2 Carboxylic acid derived benzoxazines as agents for the treatment of respiratory diseases ONO PHARMACEUTICAL CO., LTD. (JP) 2010-07-27 US disclosed
US-20060194797-A1 Condensed ring compound and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2006-08-31 US disclosed
EP-1661892-A1 CONDENSED RING COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-05-31 EP 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-20100234368-A1 CONDENSED RING COMPOUND AND USE THEREOF CYSLTR2, CYSLTR1, LTB4R2 ALDH1A1 1378/4885ADRA2B 319/4885PTGS1 13/4885
US-20060194797-A1 Condensed ring compound and use thereof CYSLTR2, CYSLTR1, LTB4R2 ALDH1A1 1378/4885ADRA2B 319/4885PTGS1 13/4885

“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.