SCHEMBL303453

SCHEMBL303453

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ATR Q13535 9/20 0.40
ATRIP Q8WXE1 2/20 0.40
POLB P06746 3/20 0.35
NPC1 O15118 3/20 0.35
KMT2A Q03164 2/20 0.35
RAB9A P51151 1/20 0.35
GFER P55789 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HCRTR1 O43613 1/20 0.34
PIK3CA P42336 3/20 0.34
MTOR P42345 3/20 0.34
CYP2C9 P11712 1/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
PRKDC P78527 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL304255 0.88 ALDH1A1 (0.41) ALDH1A1KDM4EL3MBTL1ATRPOLB
SCHEMBL304257 0.88 ALDH1A1 (0.41) ALDH1A1KDM4EL3MBTL1ATRPOLB
SCHEMBL302649 0.86 ALDH1A1 (0.43) ALDH1A1KDM4EL3MBTL1ATRATRIP
SCHEMBL302382 0.86 ALDH1A1 (0.44) ALDH1A1KDM4EL3MBTL1ATRATRIP
SCHEMBL302309 0.85 ATR (0.42) ALDH1A1KDM4EATRATRIPNPC1
SCHEMBL303365 0.85 ALDH1A1 (0.43) ALDH1A1KDM4EL3MBTL1ATRATRIP
SCHEMBL302590 0.83 KDM4E (0.41) ALDH1A1KDM4EL3MBTL1ATRATRIP
SCHEMBL303501 0.83 ATR (0.41) ALDH1A1KDM4EATRATRIPSMN1; SMN2
SCHEMBL460446 0.78 ATR (0.38) ALDH1A1KDM4EL3MBTL1ATRATRIP
SCHEMBL460445 0.78 ATR (0.38) ALDH1A1KDM4EL3MBTL1ATRATRIP

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.