SCHEMBL302102

SCHEMBL302102

Cc1ccc(N)c(C(=NN)c2nc(OCC(C)(C)O)nc(N3CCOCC3)n2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
LMNA P02545 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
PKM P14618 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.37
MAPT P10636 4/20 0.35
POLB P06746 2/20 0.35
TP53 P04637 1/20 0.35
GLA P06280 1/20 0.35
ATM Q13315 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
AXL P30530 1/20 0.34
GBA1 P04062 1/20 0.34
ATR Q13535 1/20 0.34
ATRIP Q8WXE1 1/20 0.34

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
SCHEMBL303427 0.86 ATR (0.39) AXLATRATRIP
SCHEMBL302037 0.86 MEN1 (0.37) ALDH1A1LMNAKMT2AMEN1PKM
SCHEMBL302616 0.86 MAPT (0.41) ALDH1A1LMNANPSR1KMT2AMEN1
SCHEMBL302488 0.83 ALDH1A1 (0.39) ALDH1A1LMNANPSR1KMT2AMEN1
SCHEMBL302826 0.81 SMN1; SMN2 (0.38) ALDH1A1LMNANPSR1KMT2AMEN1
SCHEMBL302828 0.81 SMN1; SMN2 (0.38) ALDH1A1LMNANPSR1KMT2AMEN1
SCHEMBL425485 0.80 ALDH1A1 (0.42) ALDH1A1LMNANPSR1KMT2AMEN1
SCHEMBL303636 0.80 MCHR1 (0.36) ALDH1A1LMNANPSR1KMT2AMEN1
SCHEMBL303890 0.79 ALDH1A1 (0.42) ALDH1A1LMNANPSR1KMT2AMEN1
SCHEMBL302287 0.79 ALDH1A1 (0.40) ALDH1A1LMNANPSR1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4851337-B2 2012-01-11 JP claimed
US-7935698-B2 Heteroaryl-hydrazone compounds SYNTA PHARMACEUTICALS CORPORATION (US) 2011-05-03 US claimed
EP-1689403-A4 HETEROARYL-HYDRAZONE COMPOUNDS SYNTA PHARMACEUTICALS CORP (US) 2007-09-05 EP claimed
JP-2007510748-A 2007-04-26 JP claimed
EP-1689403-A2 HETEROARYL-HYDRAZONE COMPOUNDS Synta Pharmaceuticals Corporation (US) 2006-08-16 EP claimed
US-20050282809-A1 Heteroaryl-hydrazone compounds LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2005-12-22 US claimed
WO-2005046604-A2 HETEROARYL-HYDRAZONE COMPOUNDS SYNTA PHARMACEUTICALS, CORP. (US) 2005-05-26 WO claimed
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-7935698-B2 Heteroaryl-hydrazone compounds SYNTA PHARMACEUTICALS CORPORATION (US) 2011-05-03 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
EP-1689403-A4 HETEROARYL-HYDRAZONE COMPOUNDS SYNTA PHARMACEUTICALS CORP (US) 2007-09-05 EP disclosed
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders SYNTA PHARMACEUTICALS CORP. (US) 2007-02-08 US disclosed
EP-1689403-A2 HETEROARYL-HYDRAZONE COMPOUNDS Synta Pharmaceuticals Corporation (US) 2006-08-16 EP disclosed
US-20050282809-A1 Heteroaryl-hydrazone compounds LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2005-12-22 US disclosed
WO-2005046604-A2 HETEROARYL-HYDRAZONE COMPOUNDS SYNTA PHARMACEUTICALS, CORP. (US) 2005-05-26 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 (5 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 1903/4885LMNA 3847/4885NPSR1 1956/4885
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 ALDH1A1 3468/4885LMNA 3579/4885NPSR1 2514/4885
US-20050282809-A1 Heteroaryl-hydrazone compounds MMP12, IL1RN, CASP12 ALDH1A1 2084/4885LMNA 2478/4885NPSR1 890/4885
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS IL17A, IL23R, IL2 ALDH1A1 747/4885LMNA 3835/4885NPSR1 2392/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 ALDH1A1 3468/4885LMNA 3579/4885NPSR1 2514/4885

“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.