SCHEMBL425940

SCHEMBL425940

C(=NNc1ccc2ccccc2c1)c1cc(N2CCOCC2)cc(OCCN2CCOCC2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.52
HTR2B P41595 1/20 0.48
ALDH1A1 P00352 6/20 0.43
KMT2A Q03164 4/20 0.43
MAPT P10636 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
GAA P10253 3/20 0.42
HPGD P15428 3/20 0.42
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
ALOX12 P18054 2/20 0.41
MEN1 O00255 3/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
RECQL P46063 1/20 0.39
MAPK14 Q16539 1/20 0.38

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
SCHEMBL425939 1.00 SIGMAR1 (0.52) SIGMAR1HTR2BALDH1A1KMT2AMAPT
SCHEMBL10198863 1.00 SIGMAR1 (0.52) SIGMAR1HTR2BALDH1A1KMT2AMAPT
SCHEMBL10195964 0.89 MAPT (0.43) SIGMAR1HTR2BALDH1A1KMT2AMAPT
SCHEMBL303663 0.89 MAPT (0.43) SIGMAR1HTR2BALDH1A1KMT2AMAPT
SCHEMBL10197195 0.88 MAPT (0.57) SIGMAR1HTR2BALDH1A1KMT2AMAPT
SCHEMBL302236 0.88 MAPT (0.57) SIGMAR1HTR2BALDH1A1KMT2AMAPT
SCHEMBL302235 0.88 MAPT (0.57) SIGMAR1HTR2BALDH1A1KMT2AMAPT
SCHEMBL10196507 0.87 GAA (0.41) SIGMAR1HTR2BALDH1A1KMT2AMAPT
SCHEMBL430900 0.87 GAA (0.41) SIGMAR1HTR2BALDH1A1KMT2AMAPT
SCHEMBL430899 0.87 GAA (0.41) SIGMAR1HTR2BALDH1A1KMT2AMAPT

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 SIGMAR1 4309/4885HTR2B 4593/4885ALDH1A1 1903/4885
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 SIGMAR1 3961/4885HTR2B 4260/4885ALDH1A1 3468/4885
US-20050282809-A1 Heteroaryl-hydrazone compounds MMP12, IL1RN, CASP12 SIGMAR1 1427/4885HTR2B 2738/4885ALDH1A1 2084/4885
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS IL17A, IL23R, IL2 SIGMAR1 4405/4885HTR2B 2882/4885ALDH1A1 747/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 SIGMAR1 3961/4885HTR2B 4260/4885ALDH1A1 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.