SCHEMBL15712481

SCHEMBL15712481

CC(C)Cn1c(=O)sc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDYL2 Q8N8U2 2/20 0.53
CDYL Q9Y232 2/20 0.53
CBX7 O95931 1/20 0.49
CDY1; CDY1B Q9Y6F8 1/20 0.49
CYP1A2 P05177 2/20 0.46
KMT2A Q03164 4/20 0.44
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
CNR2 P34972 1/20 0.39
RAB9A P51151 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
HPGD P15428 2/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 2/20 0.37

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
SCHEMBL3032915 0.85 CYP1A2 (0.60) CDYL2CDYLCBX7CDY1; CDY1BCYP1A2
SCHEMBL15712679 0.80 CDYL2 (0.49) CDYL2CDYLCBX7CDY1; CDY1BMAPT
SCHEMBL3034372 0.79 KMT2A (0.52) CDYL2CDYLCBX7CDY1; CDY1BCYP1A2
SCHEMBL2403057 0.77 CDYL2 (0.64) CDYL2CDYLCBX7CDY1; CDY1BCYP1A2
SCHEMBL15712229 0.77 KDM4E (0.61) CDYL2CDYLCBX7CDY1; CDY1BKMT2A
SCHEMBL3032939 0.77 RAB9A (0.51) CDYL2CDYLCBX7CDY1; CDY1BCYP1A2
SCHEMBL23000897 0.76 CDYL2 (0.48) CDYL2CDYLCBX7CDY1; CDY1BCYP1A2
SCHEMBL15712477 0.74 CDYL2 (0.49) CDYL2CDYLCBX7CDY1; CDY1BCYP1A2
SCHEMBL18188255 0.74 CDYL2 (0.47) CDYL2CDYLCBX7CDY1; CDY1BCYP1A2
SCHEMBL23926512 0.73 CDYL2 (0.47) CDYL2CDYLCBX7CDY1; CDY1BCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2915804-B1 NOVEL AMINE DERIVATIVE OR SALT THEREOF AS TNF ALPHA INHIBITORS FUJIFILM TOYAMA CHEMICAL CO LTD (JP) 2019-03-27 EP disclosed
EP-2915804-B1 NOVEL AMINE DERIVATIVE OR SALT THEREOF AS TNF ALPHA INHIBITORS FUJIFILM TOYAMA CHEMICAL CO LTD (JP) 2019-03-27 EP disclosed
US-9624215-B2 Amine derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2017-04-18 US disclosed
US-9624215-B2 Amine derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2017-04-18 US disclosed
US-9624215-B2 Amine derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2017-04-18 US disclosed
US-20150299189-A1 NOVEL AMINE DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2015-10-22 US disclosed
US-20150299189-A1 NOVEL AMINE DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2015-10-22 US disclosed
US-20150299189-A1 NOVEL AMINE DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2015-10-22 US disclosed
EP-2915804-A1 NOVEL AMINE DERIVATIVE OR SALT THEREOF Toyama Chemical Co., Ltd. (JP) 2015-09-09 EP disclosed
EP-2915804-A1 NOVEL AMINE DERIVATIVE OR SALT THEREOF Toyama Chemical Co., Ltd. (JP) 2015-09-09 EP disclosed
WO-2014069510-A1 NOVEL AMINE DERIVATIVE OR SALT THEREOF 富山化学工業株式会社 (JP) 2014-05-08 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 (1 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-20150299189-A1 NOVEL AMINE DERIVATIVE OR SALT THEREOF HRH4, CLIC4, KRT18 CDYL2 924/4885CDYL 1050/4885CBX7 2330/4885

“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.