SCHEMBL430726

SCHEMBL430726

Cc1ccc(N)c(N/N=C\c2cc(N3CCOCC3)cc(OCCN3CCOCC3)n2)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.39
HTR2B P41595 1/20 0.39
MAPT P10636 4/20 0.39
GAA P10253 3/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
ACHE P22303 1/20 0.38
KCNH2 Q12809 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CASP7 P55210 1/20 0.37
CASP6 P55212 1/20 0.37
ATM Q13315 1/20 0.36
MAOA P21397 1/20 0.36

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
SCHEMBL430727 1.00 SIGMAR1 (0.39) SIGMAR1HTR2BMAPTGAALMNA
SCHEMBL10196492 1.00 SIGMAR1 (0.39) SIGMAR1HTR2BMAPTGAALMNA
SCHEMBL301879 0.90 MAPT (0.39) MAPTGAALMNAPOLBKDM4E
SCHEMBL301878 0.90 MAPT (0.39) MAPTGAALMNAPOLBKDM4E
SCHEMBL303635 0.85 MAPT (0.38) MAPTGAALMNAPOLBKDM4E
SCHEMBL303634 0.85 MAPT (0.38) MAPTGAALMNAPOLBKDM4E
SCHEMBL301990 0.85 IRAK4 (0.53) MAPTGAALMNAPOLBKDM4E
SCHEMBL301991 0.85 IRAK4 (0.53) MAPTGAALMNAPOLBKDM4E
SCHEMBL10198882 0.85 IRAK4 (0.53) MAPTGAALMNAPOLBKDM4E
SCHEMBL430552 0.85 MAPT (0.43) SIGMAR1HTR2BMAPTGAALMNA

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 12 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
EP-1689403-A4 HETEROARYL-HYDRAZONE COMPOUNDS SYNTA PHARMACEUTICALS CORP (US) 2007-09-05 EP disclosed
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders SYNTA PHARMACEUTICALS CORP. (US) 2007-02-08 US disclosed
EP-1689403-A2 HETEROARYL-HYDRAZONE COMPOUNDS Synta Pharmaceuticals Corporation (US) 2006-08-16 EP disclosed
US-20050282809-A1 Heteroaryl-hydrazone compounds LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2005-12-22 US disclosed
WO-2005046604-A2 HETEROARYL-HYDRAZONE COMPOUNDS SYNTA PHARMACEUTICALS, CORP. (US) 2005-05-26 WO 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 4593/4885MAPT 238/4885
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 SIGMAR1 3961/4885HTR2B 4260/4885MAPT 4316/4885
US-20050282809-A1 Heteroaryl-hydrazone compounds MMP12, IL1RN, CASP12 SIGMAR1 1427/4885HTR2B 2738/4885MAPT 3534/4885
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS IL17A, IL23R, IL2 SIGMAR1 4405/4885HTR2B 2882/4885MAPT 2815/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 SIGMAR1 3961/4885HTR2B 4260/4885MAPT 4316/4885

“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.