SCHEMBL15712477

SCHEMBL15712477

O=c1sc2cc([N+](=O)[O-])ccc2n1CC1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDYL2 Q8N8U2 2/20 0.49
CDYL Q9Y232 2/20 0.49
RAB9A P51151 1/20 0.47
CBX7 O95931 1/20 0.46
CDY1; CDY1B Q9Y6F8 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.44
AR P10275 1/20 0.41
CNR2 P34972 3/20 0.40
CYP1A2 P05177 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HSP90AA1 P07900 1/20 0.39
RORC P51449 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
SCHEMBL6189813 0.88 CDYL2 (0.47) CDYL2CDYLRAB9ACBX7CDY1; CDY1B
SCHEMBL6190546 0.84 CDYL2 (0.49) CDYL2CDYLRAB9ACBX7CDY1; CDY1B
SCHEMBL15712855 0.82 CDYL2 (0.46) CDYL2CDYLCBX7CDY1; CDY1BCNR2
SCHEMBL3032915 0.78 CYP1A2 (0.60) CDYL2CDYLRAB9ACBX7CDY1; CDY1B
SCHEMBL6192811 0.77 CDYL2 (0.54) CDYL2CDYLCBX7CDY1; CDY1B
SCHEMBL6187442 0.77 GMNN (0.43) CDYL2CDYLCBX7CDY1; CDY1BKMT2A
Hydrochloric Acid SCHEMBL6191451 0.77 CDYL2 (0.53) CDYL2CDYLCBX7CDY1; CDY1B
Hydrochloric Acid SCHEMBL6186616 0.76 GMNN (0.42) CDYL2CDYLCBX7CDY1; CDY1BKMT2A
SCHEMBL2586954 0.75 SIGMAR1 (0.41) CNR2ALDH1A1RORC
SCHEMBL15712481 0.74 CDYL2 (0.53) CDYL2CDYLRAB9ACBX7CDY1; CDY1B

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
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
CN-104870422-A Novel amine derivative or salt thereof TOYAMA CHEMICAL CO LTD 2015-08-26 CN 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 1050/4885RAB9A 3312/4885

“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.