SCHEMBL430552

SCHEMBL430552

Cc1cccc(NN=Cc2cc(N3CCOCC3)cc(OCCN3CCOCC3)n2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
HPGD P15428 4/20 0.43
GAA P10253 4/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 3/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
ALOX12 P18054 2/20 0.43
RECQL P46063 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
TSHR P16473 1/20 0.41
SIGMAR1 Q99720 4/20 0.41
HTR2B P41595 1/20 0.41
FES P07332 1/20 0.41
FER P16591 1/20 0.41

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
SCHEMBL430551 1.00 MAPT (0.43) MAPTHPGDGAAALDH1A1SMN1; SMN2
SCHEMBL10198865 1.00 MAPT (0.43) MAPTHPGDGAAALDH1A1SMN1; SMN2
SCHEMBL430056 0.90 MAPT (0.43) MAPTHPGDGAAALDH1A1SMN1; SMN2
SCHEMBL10197159 0.90 MAPT (0.43) MAPTHPGDGAAALDH1A1SMN1; SMN2
SCHEMBL10197195 0.89 MAPT (0.57) MAPTHPGDGAAALDH1A1SMN1; SMN2
SCHEMBL302235 0.89 MAPT (0.57) MAPTHPGDGAAALDH1A1SMN1; SMN2
SCHEMBL302236 0.89 MAPT (0.57) MAPTHPGDGAAALDH1A1SMN1; SMN2
SCHEMBL423707 0.88 MAPT (0.39) MAPTHPGDGAAALDH1A1SMN1; SMN2
SCHEMBL10196442 0.88 MAPT (0.39) MAPTHPGDGAAALDH1A1SMN1; SMN2
SCHEMBL425939 0.87 SIGMAR1 (0.52) MAPTHPGDGAAALDH1A1SMN1; SMN2

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 238/4885HPGD 424/4885GAA 2575/4885
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 MAPT 4316/4885HPGD 4288/4885GAA 3596/4885
US-20050282809-A1 Heteroaryl-hydrazone compounds MMP12, IL1RN, CASP12 MAPT 3534/4885HPGD 182/4885GAA 436/4885
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS IL17A, IL23R, IL2 MAPT 2815/4885HPGD 768/4885GAA 2317/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 MAPT 4316/4885HPGD 4288/4885GAA 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.