SCHEMBL3219351

SCHEMBL3219351

CCOC(=O)/C=C/c1ccc(Nc2nc(Nc3ccc(/C=C/C(=O)OCC)cc3)nc(-c3cccn3Cc3ccccc3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.42
NPC1 O15118 1/20 0.42
CA12 O43570 3/20 0.41
CA9 Q16790 3/20 0.41
CA7 P43166 2/20 0.41
CA14 Q9ULX7 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 1/20 0.41
MAPT P10636 3/20 0.41
PTGS2 P35354 1/20 0.40
THRB P10828 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
AKR1B10 O60218 3/20 0.39
AKR1B1 P15121 3/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA5B Q9Y2D0 1/20 0.39

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
SCHEMBL3219357 1.00 RAB9A (0.42) RAB9ANPC1CA12CA9CA7
SCHEMBL3222241 0.78 MAPK13 (0.44) RAB9ANPC1MAPTHTTKDM4E
SCHEMBL3226231 0.78 MAPT (0.46) RAB9ANPC1MAPTTHRBMEN1
SCHEMBL14025439 0.78 KCNH3 (0.49) RAB9AMAPTMEN1KMT2ALMNA
SCHEMBL3230531 0.72 L3MBTL1 (0.43) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL3209031 0.71 MKNK1 (0.43) MAPTMEN1KMT2A
SCHEMBL17018655 0.70 CA12 (0.49) RAB9ANPC1CA12CA9CA7
SCHEMBL11461243 0.70 MAPT (0.59) RAB9ACA12CA9CA7CA14
SCHEMBL11461242 0.70 MAPT (0.59) RAB9ACA12CA9CA7CA14
SCHEMBL2771939 0.68 CA12 (0.65) RAB9ANPC1CA12CA9CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100047185-A1 ACTVIE SUBSTANCE COMBINATION ISDIN S.A. (ES) 2010-02-25 US claimed
US-20100047185-A1 ACTVIE SUBSTANCE COMBINATION ISDIN S.A. (ES) 2010-02-25 US disclosed
US-20080253978-A1 Derivatives of Pyrrolyltriazine Together with Methods for Obtaining Them and Their Use as Protecting Agents Uv Radiation ISDIN, S.A. (ES) 2008-10-16 US disclosed
US-20080253978-A1 Derivatives of Pyrrolyltriazine Together with Methods for Obtaining Them and Their Use as Protecting Agents Uv Radiation ISDIN, S.A. (ES) 2008-10-16 US disclosed
WO-2008067928-A1 UV ABSORBING COMPOSITIONS CONTAINING A PYRROLYLTRIAZINE ISDIN S.A. (ES) 2008-06-12 WO disclosed
EP-1891050-A1 NEW DERIVATIVES OF PYRROLYLTRIAZINE TOGETHER WITH METHODS FOR OBTAINING THEM AND THEIR USE AS PROTECTING AGENTS AGAINST UV RADIATION ISDIN, S.A. (ES) 2008-02-27 EP disclosed
WO-2006128920-A1 NEW DERIVATIVES OF PYRROLYLTRIAZINE TOGETHER WITH METHODS FOR OBTAINING THEM AND THEIR USE AS PROTECTING AGENTS AGAINST UV RADIATION ISDIN, S.A. (ES) 2006-12-07 WO disclosed
WO-2006128791-A1 NEW DERIVATIVES OF PYRROLYLTRIAZINE TOGETHER WITH METHODS FOR OBTAINING THEM AND THEIR USE AS PROTECTING AGENTS AGAINST UV RADIATION ISDIN, S.A. (ES) 2006-12-07 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 (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-20100047185-A1 ACTVIE SUBSTANCE COMBINATION UGT2B17, TACR2, UGT1A1 RAB9A 3821/4885NPC1 3790/4885CA12 1110/4885
US-20080253978-A1 Derivatives of Pyrrolyltriazine Together with Methods for Obtaining Them and Their Use as Protecting Agents Uv Radiation UNG, TPMT, PPOX RAB9A 1809/4885NPC1 1774/4885CA12 3004/4885

“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.