SCHEMBL426406

SCHEMBL426406

Cc1[nH]c2ccc(NN=Cc3cc(OCC(C)(C)O)nc(N4CCOCC4)n3)cc2c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.42
KMT2A Q03164 6/20 0.42
GAA P10253 5/20 0.42
MEN1 O00255 5/20 0.42
LMNA P02545 4/20 0.42
NPSR1 Q6W5P4 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
THRB P10828 1/20 0.36
ATM Q13315 2/20 0.35
TAAR1 Q96RJ0 2/20 0.35
POLB P06746 2/20 0.35
BRAF P15056 1/20 0.35
EIF2AK2 P19525 1/20 0.34
SENP7 Q9BQF6 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
SCHEMBL426405 1.00 MAPT (0.42) MAPTKMT2AGAAMEN1LMNA
SCHEMBL430570 0.91 MAPT (0.41) MAPTKMT2AGAAMEN1LMNA
SCHEMBL430571 0.91 MAPT (0.41) MAPTKMT2AGAAMEN1LMNA
SCHEMBL424055 0.88 MAPT (0.42) MAPTKMT2AGAAMEN1LMNA
SCHEMBL10195968 0.88 MAPT (0.42) MAPTKMT2AGAAMEN1LMNA
SCHEMBL302648 0.87 MAPT (0.41) MAPTKMT2AGAAMEN1LMNA
SCHEMBL302647 0.87 MAPT (0.41) MAPTKMT2AGAAMEN1LMNA
SCHEMBL460446 0.87 ATR (0.38) MAPTKMT2AGAAMEN1LMNA
SCHEMBL460445 0.87 ATR (0.38) MAPTKMT2AGAAMEN1LMNA
SCHEMBL303765 0.86 MAPT (0.52) MAPTKMT2AGAALMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7935698-B2 Heteroaryl-hydrazone compounds SYNTA PHARMACEUTICALS CORPORATION (US) 2011-05-03 US claimed
US-20050282809-A1 Heteroaryl-hydrazone compounds LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2005-12-22 US 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 MAPT 238/4885KMT2A 4300/4885GAA 2575/4885
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 MAPT 4316/4885KMT2A 1509/4885GAA 3596/4885
US-20050282809-A1 Heteroaryl-hydrazone compounds MMP12, IL1RN, CASP12 MAPT 3534/4885KMT2A 2176/4885GAA 436/4885
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS IL17A, IL23R, IL2 MAPT 2815/4885KMT2A 1939/4885GAA 2317/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 MAPT 4316/4885KMT2A 1509/4885GAA 3596/4885

“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.