SCHEMBL425485

SCHEMBL425485

CC(C)(O)COc1nc(C(=NN)c2ccc3ccccc3c2)nc(N2CCOCC2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 2/20 0.37
HSD17B10 Q99714 1/20 0.37
PIK3R1 P27986 5/20 0.37
PIK3CA P42336 5/20 0.37
MTOR P42345 2/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
CYP1A2 P05177 1/20 0.35
PKM P14618 1/20 0.35
CYP2C19 P33261 1/20 0.35
ATR Q13535 1/20 0.35

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
SCHEMBL302488 0.88 ALDH1A1 (0.39) ALDH1A1NPSR1LMNAPOLBSMN1; SMN2
SCHEMBL302616 0.88 MAPT (0.41) ALDH1A1NPSR1LMNAPOLBSMN1; SMN2
SCHEMBL302260 0.85 CYP3A4 (0.45) ALDH1A1NPSR1POLBSMN1; SMN2MAPK1
SCHEMBL302262 0.85 CYP3A4 (0.45) ALDH1A1NPSR1POLBSMN1; SMN2MAPK1
SCHEMBL303501 0.85 ATR (0.41) ALDH1A1NPSR1LMNASMN1; SMN2PIK3CA
SCHEMBL303591 0.85 SMN1; SMN2 (0.38) ALDH1A1NPSR1LMNAPOLBSMN1; SMN2
SCHEMBL302649 0.83 ALDH1A1 (0.43) ALDH1A1NPSR1LMNAPOLBSMN1; SMN2
SCHEMBL303890 0.81 ALDH1A1 (0.42) ALDH1A1NPSR1LMNAPOLBSMN1; SMN2
SCHEMBL302102 0.80 ALDH1A1 (0.38) ALDH1A1NPSR1LMNAPOLBSMN1; SMN2
SCHEMBL302828 0.79 SMN1; SMN2 (0.38) ALDH1A1NPSR1LMNAPOLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP (US) 2015-06-25 US disclosed
US-20120021434-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2012-01-26 US disclosed
US-20110098267-A1 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS SYNTA PHARMACEUTICALS CORPORATION (US) 2011-04-28 US disclosed
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2009-06-25 US disclosed
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders SYNTA PHARMACEUTICALS CORP. (US) 2007-02-08 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-20110098267-A1 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS IL17A, IL23R, IL15 ALDH1A1 1903/4885NPSR1 1956/4885LMNA 3847/4885
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 ALDH1A1 3468/4885NPSR1 2514/4885LMNA 3579/4885
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS IL17A, IL23R, IL2 ALDH1A1 747/4885NPSR1 2392/4885LMNA 3835/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 ALDH1A1 3468/4885NPSR1 2514/4885LMNA 3579/4885

“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.