SCHEMBL302382

SCHEMBL302382

Cc1[nH]c2ccc(C(=NN)c3cc(OCC(C)(C)O)nc(N4CCOCC4)n3)cc2c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
EIF2AK2 P19525 1/20 0.35
KMT2A Q03164 4/20 0.35
NPC1 O15118 3/20 0.35
ATR Q13535 1/20 0.35
ATRIP Q8WXE1 1/20 0.35
RAB9A P51151 1/20 0.35
GFER P55789 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
HCRTR1 O43613 1/20 0.35
MEN1 O00255 3/20 0.35
MAPT P10636 3/20 0.34
GAA P10253 2/20 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
SCHEMBL303365 0.91 ALDH1A1 (0.43) ALDH1A1KDM4EL3MBTL1POLBSMN1; SMN2
SCHEMBL302173 0.87 KDM4E (0.41) ALDH1A1KDM4EL3MBTL1POLBSMN1; SMN2
SCHEMBL424054 0.87 KDM4E (0.41) ALDH1A1KDM4EL3MBTL1POLBSMN1; SMN2
SCHEMBL302649 0.87 ALDH1A1 (0.43) ALDH1A1KDM4EL3MBTL1POLBSMN1; SMN2
SCHEMBL303766 0.87 SMN1; SMN2 (0.39) ALDH1A1KDM4EL3MBTL1POLBSMN1; SMN2
SCHEMBL427180 0.87 SMN1; SMN2 (0.39) ALDH1A1KDM4EL3MBTL1POLBSMN1; SMN2
SCHEMBL303453 0.86 ALDH1A1 (0.43) ALDH1A1KDM4EL3MBTL1POLBSMN1; SMN2
SCHEMBL303591 0.84 SMN1; SMN2 (0.38) ALDH1A1KDM4EL3MBTL1POLBSMN1; SMN2
SCHEMBL302528 0.84 MAPT (0.39) ALDH1A1KDM4EL3MBTL1POLBSMN1; SMN2
SCHEMBL426313 0.81 ALDH1A1 (0.45) ALDH1A1KDM4EL3MBTL1SMN1; SMN2KMT2A

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 14 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
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders SYNTA PHARMACEUTICALS CORP. (US) 2007-02-08 US disclosed
US-20050282809-A1 Heteroaryl-hydrazone compounds LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2005-12-22 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 (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 1903/4885KDM4E 3825/4885L3MBTL1 4848/4885
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 ALDH1A1 3468/4885KDM4E 1015/4885L3MBTL1 1129/4885
US-20050282809-A1 Heteroaryl-hydrazone compounds MMP12, IL1RN, CASP12 ALDH1A1 2084/4885KDM4E 2476/4885L3MBTL1 3589/4885
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS IL17A, IL23R, IL2 ALDH1A1 747/4885KDM4E 2869/4885L3MBTL1 3992/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 ALDH1A1 3468/4885KDM4E 1015/4885L3MBTL1 1129/4885

“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.