SCHEMBL428034

SCHEMBL428034

NC(=O)c1cccc(NN=Cc2nc(OCCN3CCOCC3)nc(N3CCOCC3)n2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 5/20 0.43
GAA P10253 3/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MTOR P42345 3/20 0.42
MAPT P10636 4/20 0.42
KDM4E B2RXH2 3/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
PIK3CA P42336 3/20 0.41
USP2 O75604 1/20 0.40
PIK3CD O00329 1/20 0.40
PIK3R1 P27986 1/20 0.40
PIK3CB P42338 1/20 0.40

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
SCHEMBL428033 1.00 CYP3A4 (0.44) CYP3A4CYP2C9ALDH1A1SMN1; SMN2LMNA
SCHEMBL423722 0.90 CYP3A4 (0.47) CYP3A4CYP2C9ALDH1A1SMN1; SMN2LMNA
SCHEMBL303494 0.90 CYP3A4 (0.47) CYP3A4CYP2C9ALDH1A1SMN1; SMN2LMNA
SCHEMBL428241 0.87 NPC1 (0.43) ALDH1A1SMN1; SMN2LMNAGAANPC1
SCHEMBL428242 0.87 NPC1 (0.43) ALDH1A1SMN1; SMN2LMNAGAANPC1
SCHEMBL425629 0.87 TYK2 (0.53) CYP3A4CYP2C9ALDH1A1SMN1; SMN2LMNA
SCHEMBL425628 0.87 TYK2 (0.53) CYP3A4CYP2C9ALDH1A1SMN1; SMN2LMNA
SCHEMBL302405 0.86 LMNA (0.42) CYP3A4CYP2C9ALDH1A1SMN1; SMN2LMNA
SCHEMBL302406 0.86 LMNA (0.42) CYP3A4CYP2C9ALDH1A1SMN1; SMN2LMNA
SCHEMBL430111 0.86 MAPT (0.49) CYP3A4CYP2C9ALDH1A1SMN1; SMN2LMNA

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 CYP3A4 2294/4885CYP2C9 1934/4885ALDH1A1 1903/4885
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 CYP3A4 4855/4885CYP2C9 4880/4885ALDH1A1 3468/4885
US-20050282809-A1 Heteroaryl-hydrazone compounds MMP12, IL1RN, CASP12 CYP3A4 813/4885CYP2C9 965/4885ALDH1A1 2084/4885
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS IL17A, IL23R, IL2 CYP3A4 458/4885CYP2C9 322/4885ALDH1A1 747/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 CYP3A4 4855/4885CYP2C9 4880/4885ALDH1A1 3468/4885

“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.