SCHEMBL3695330

SCHEMBL3695330

Cc1c(CNOS(C)(=O)=O)c(=O)n(-c2ccccc2)n1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.49
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 3/20 0.47
ALOX15 P16050 3/20 0.47
BCHE P06276 1/20 0.47
PTGS2 P35354 1/20 0.47
TSHR P16473 2/20 0.46
LMNA P02545 2/20 0.46
ADORA3 P0DMS8 1/20 0.46
PTGS1 P23219 1/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 1/20 0.45
THRB P10828 1/20 0.45
NAPRT Q6XQN6 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.44
ALOX12 P18054 1/20 0.44
GAA P10253 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
Water SCHEMBL30370095 0.97 ALDH1A1 (0.47) HSD17B10KDM4EALDH1A1ALOX15BCHE
SCHEMBL11363902 0.79 ALOX15 (0.55) KDM4EALDH1A1ALOX15BCHEPTGS2
SCHEMBL28312413 0.78 ALOX15 (0.54) KDM4EALDH1A1ALOX15BCHEPTGS2
SCHEMBL1780894 0.78 KDM4E (0.51) HSD17B10KDM4EALDH1A1ALOX15BCHE
SCHEMBL5059395 0.78 PTGS1 (0.55) HSD17B10KDM4EALDH1A1ALOX15BCHE
SCHEMBL1476459 0.76 KDM4E (0.52) HSD17B10KDM4EALDH1A1ALOX15BCHE
4,4-Diantipyrylmethane Monohydrate SCHEMBL3879841 0.76 ALOX15 (0.62) HSD17B10KDM4EALDH1A1ALOX15BCHE
4,4-Diantipyrylmethane Monohydrate SCHEMBL8664775 0.74 ALOX15 (0.60) HSD17B10KDM4EALDH1A1ALOX15BCHE
SCHEMBL4324895 0.74 ALOX15 (0.60) HSD17B10KDM4EALDH1A1ALOX15BCHE
SCHEMBL28442475 0.74 KDM4E (0.69) HSD17B10KDM4EALDH1A1ALOX15BCHE

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
US-20200330436-A1 Compositions and Methods for Treatment and Prevention of Pyrexia in Horses KINDRED BIOSCIENCES, INC. (US) 2020-10-22 US disclosed
US-10682337-B2 Compositions and methods for treatment and prevention of pyrexia in horses KINDRED BIOSCIENCES, INC. (US) 2020-06-16 US disclosed
US-20180071256-A1 COMPOSITIONS AND METHODS FOR TREATMENT AND PREVENTION OF PYREXIA IN HORSES KINDRED BIOSCIENCES, INC. (US) 2018-03-15 US disclosed
US-9192594-B2 Ophthalmic solution for protecting internal structures of the eyeball against UV-A rays or for the treatment of keratoconus with a trans-epithelial cross-linking technique Sanseverino, Renato (IT) 2015-11-24 US disclosed
EP-2459186-B1 OPHTHALMIC SOLUTION FOR PROTECTING INTERNAL STRUCTURES OF THE EYEBALL AGAINST UV-A RAYS OR FOR THE TREATMENT OF KERATOCONUS WITH A TRANS-EPITHELIAL CROSS-LINKING TECHNIQUE TROISI SALVATORE (IT) 2013-10-09 EP disclosed
CN-102470120-A Ophthalmic solutions for protecting the internal structure of the eyeball against ultraviolet rays or for treating keratoconus with a transepithelial cross-linking technique SANSEVERINO RENATO 2012-05-23 CN disclosed
US-20120121567-A1 OPHTHALMIC SOLUTION FOR PROTECTING INTERNAL STRUCTURES OF THE EYEBALL AGAINST UV-A RAYS OR FOR THE TREATMENT OF KERATOCONUS WITH A TRANS-EPITHELIAL CROSS-LINKING TECHNIQUE TROISI, SALVATORE (IT) 2012-05-17 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 (4 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-20200330436-A1 Compositions and Methods for Treatment and Prevention of Pyrexia in Horses XDH, COX15, TTPA HSD17B10 2107/4885KDM4E 4485/4885ALDH1A1 604/4885
US-20120121567-A1 OPHTHALMIC SOLUTION FOR PROTECTING INTERNAL STRUCTURES OF THE EYEBALL AGAINST UV-A RAYS OR FOR THE TREATMENT OF KERATOCONUS WITH A TRANS-EPITHELIAL CROSS-LINKING TECHNIQUE MMP2, MMP9, MMP26 HSD17B10 2209/4885KDM4E 2720/4885ALDH1A1 1138/4885
US-20180071256-A1 COMPOSITIONS AND METHODS FOR TREATMENT AND PREVENTION OF PYREXIA IN HORSES XDH, COX15, TTPA HSD17B10 2107/4885KDM4E 4485/4885ALDH1A1 604/4885
US-10682337-B2 Compositions and methods for treatment and prevention of pyrexia in horses XDH, COX15, TTPA HSD17B10 2107/4885KDM4E 4485/4885ALDH1A1 604/4885

“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.