SCHEMBL10129281

SCHEMBL10129281

CC(C)c1c2ccccc2cn1C

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.34
ALDH1A1 P00352 5/20 0.33
CYP2A6 P11509 3/20 0.33
ALOX12 P18054 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GPR3 P46089 1/20 0.33
IDO1 P14902 1/20 0.33
IMPDH2 P12268 2/20 0.32
BRD4 O60885 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 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
SCHEMBL19590889 0.78 HTR2A (0.33) ALDH1A1CYP2A6ALOX12TSHRHSD17B10
SCHEMBL20033962 0.75 KDM4E (0.34) ALDH1A1HSD17B10SMN1; SMN2KDM4E
SCHEMBL22623683 0.73 BRD4 (0.43) ALDH1A1TSHRHSD17B10TDP1BRD4
SCHEMBL8149494 0.71 CYP2A6 (0.41) GPR84ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL19608698 0.70 ALDH1A1 (0.39) GPR84ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL19454794 0.70 CYP2A6 (0.39) GPR84ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL13657554 0.67 GPR84 (0.34) GPR84ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL22536926 0.67 BRD4 (0.44) ALDH1A1HSD17B10BRD4SMN1; SMN2KDM4E
SCHEMBL11716121 0.67 GPR84 (0.38) GPR84ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL18233737 0.67 GPR84 (0.34) GPR84ALDH1A1CYP2A6TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170066792-A1 TETRADENTATE AND OCTAHEDRAL METAL COMPLEXES CONTAINING NAPHTHYRIDINOCARBAZOLE AND ITS ANALOGUES ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY 2017-03-09 US disclosed
US-20160074381-A1 MODULATORS OF CELLULAR ADHESION SARCODE BIOSCIENCE INC. (US) 2016-03-17 US disclosed
US-9248126-B2 Modulators of cellular adhesion SARCODE BIOSCIENCE INC. (US) 2016-02-02 US disclosed
US-9216174-B2 Modulators of cellular adhesion SARCODE BIOSCIENCE INC. (US) 2015-12-22 US disclosed
US-20140066476-A1 MODULATORS OF CELLULAR ADHESION SARCODE BIOSCIENCE INC. (US) 2014-03-06 US disclosed
US-20140051675-A1 MODULATORS OF CELLULAR ADHESION SARCODE BIOSCIENCE INC. (US) 2014-02-20 US disclosed
US-20120035154-A1 Modulators of Cellular Adhesion SARcode Bioscience, Inc. (US) 2012-02-09 US disclosed
US-8071617-B2 Modulators of cellular adhesion SARCODE BIOSCIENCE INC. (US) 2011-12-06 US disclosed
US-7989626-B2 Modulators of cellular adhesion SAR code Corporation (US) 2011-08-02 US disclosed
US-20110124625-A1 Modulators of Cellular Adhesion SARCODE CORPORATION (US) 2011-05-26 US disclosed
US-7928122-B2 Modulators of cellular adhesion SARCODE CORPORATION (US) 2011-04-19 US disclosed
US-7790743-B2 Modulators of cellular adhesion SARCODE CORPORATION (US) 2010-09-07 US disclosed
US-7745460-B2 Modulators of cellular adhesion SARCODE CORPORATION (US) 2010-06-29 US disclosed
US-20100093693-A1 MODULATORS OF CELLULAR ADHESION BAUSCH + LOMB IRELAND LIMITED (IE) 2010-04-15 US disclosed
US-20080182839-A1 MODULATORS OF CELLULAR ADHESION SUNESIS PHARMACEUTICALS, INC. (US) 2008-07-31 US disclosed
US-20080182839-A1 MODULATORS OF CELLULAR ADHESION SUNESIS PHARMACEUTICALS, INC. (US) 2008-07-31 US disclosed
US-20080176896-A1 Modulators of cellular adhesion BAUSCH + LOMB IRELAND LIMITED (IE) 2008-07-24 US disclosed
US-20080176896-A1 Modulators of cellular adhesion BAUSCH + LOMB IRELAND LIMITED (IE) 2008-07-24 US disclosed
US-7314938-B2 Immune and/or inflammatory disorders; autoimmune disorders; disorders mediated by the CD11/CD18 family of cellular adhesion molecules (e.g., LFA-1); antagonize CD11/CD18 receptors associated with leukocytes. SUNESIS PHARMACEUTICALS, INC. (US) 2008-01-01 US disclosed
US-7314938-B2 Immune and/or inflammatory disorders; autoimmune disorders; disorders mediated by the CD11/CD18 family of cellular adhesion molecules (e.g., LFA-1); antagonize CD11/CD18 receptors associated with leukocytes. SUNESIS PHARMACEUTICALS, INC. (US) 2008-01-01 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 (9 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-20140066476-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 GPR84 246/4885ALDH1A1 112/4885CYP2A6 3358/4885
US-20080176896-A1 Modulators of cellular adhesion ITGB1, VCAM1, ITGB8 GPR84 246/4885ALDH1A1 112/4885CYP2A6 3358/4885
US-20140051675-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 GPR84 246/4885ALDH1A1 112/4885CYP2A6 3358/4885
US-20100093693-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 GPR84 250/4885ALDH1A1 119/4885CYP2A6 3408/4885
US-20110124625-A1 Modulators of Cellular Adhesion ITGB1, VCAM1, ITGB8 GPR84 246/4885ALDH1A1 112/4885CYP2A6 3358/4885
US-20160074381-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 GPR84 246/4885ALDH1A1 112/4885CYP2A6 3358/4885
US-20170066792-A1 TETRADENTATE AND OCTAHEDRAL METAL COMPLEXES CONTAINING NAPHTHYRIDINOCARBAZOLE AND ITS ANALOGUES PAICS, DNTT, PNPO GPR84 1087/4885ALDH1A1 4508/4885CYP2A6 3346/4885
US-20120035154-A1 Modulators of Cellular Adhesion ITGB1, VCAM1, ITGB8 GPR84 246/4885ALDH1A1 112/4885CYP2A6 3358/4885
US-20080182839-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 GPR84 249/4885ALDH1A1 111/4885CYP2A6 3376/4885

“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.