SCHEMBL1192002

SCHEMBL1192002

O=C(c1cc(Cl)c(O)c([N+](=O)[O-])c1)N1CCOc2cnccc21

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 10/20 0.53
SLC22A6 Q4U2R8 1/20 0.53
SLC22A8 Q8TCC7 1/20 0.53
GPBAR1 Q8TDU6 1/20 0.42
POLB P06746 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GPR35 Q9HC97 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
Bromide SCHEMBL1191171 0.99 SLC22A12 (0.53) SLC22A12SLC22A6SLC22A8GPBAR1POLB
SCHEMBL1191393 0.96 SLC22A12 (0.50) SLC22A12SLC22A6SLC22A8GPBAR1POLB
SCHEMBL1191517 0.92 SLC22A12 (0.64) SLC22A12SLC22A6SLC22A8GPBAR1POLB
SCHEMBL1190918 0.89 SLC22A12 (0.60) SLC22A12SLC22A6SLC22A8GPBAR1POLB
SCHEMBL1190479 0.89 SLC22A12 (0.63) SLC22A12SLC22A6SLC22A8GPBAR1POLB
Bromide SCHEMBL1190165 0.88 SLC22A12 (0.61) SLC22A12SLC22A6SLC22A8GPBAR1POLB
SCHEMBL1191276 0.87 SLC22A12 (0.46) SLC22A12SLC22A6SLC22A8GPBAR1POLB
SCHEMBL4902036 0.86 POLB (0.58) SLC22A12SLC22A6SLC22A8GPBAR1POLB
SCHEMBL1191290 0.86 SLC22A12 (0.57) SLC22A12SLC22A6SLC22A8GPBAR1POLB
SCHEMBL1191396 0.85 SLC22A12 (0.44) SLC22A12SLC22A6SLC22A8GPBAR1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2266989-B1 HETEROCYCLIC DERIVATIVES C & C RES LAB (KR) 2015-09-02 EP claimed
US-8394792-B2 Heterocyclic derivatives C&C RESEARCH LABORATORIES (KR) 2013-03-12 US claimed
CN-102015726-A Heterocyclic derivatives C & C RES LAB 2011-04-13 CN claimed
US-20110028467-A1 HETEROCYCLIC DERIVATIVES C&C RESEARCH LABORATORIES (KR) 2011-02-03 US claimed
EP-2266989-A2 HETEROCYCLIC DERIVATIVES C&c Research Laboratories (KR) 2010-12-29 EP claimed
EP-2266989-B1 HETEROCYCLIC DERIVATIVES C & C RES LAB (KR) 2015-09-02 EP disclosed
US-8394792-B2 Heterocyclic derivatives C&C RESEARCH LABORATORIES (KR) 2013-03-12 US disclosed
US-8394792-B2 Heterocyclic derivatives C&C RESEARCH LABORATORIES (KR) 2013-03-12 US disclosed
US-8394792-B2 Heterocyclic derivatives C&C RESEARCH LABORATORIES (KR) 2013-03-12 US disclosed
CN-102015726-A Heterocyclic derivatives C & C RES LAB 2011-04-13 CN disclosed
US-20110028467-A1 HETEROCYCLIC DERIVATIVES C&C RESEARCH LABORATORIES (KR) 2011-02-03 US disclosed
US-20110028467-A1 HETEROCYCLIC DERIVATIVES C&C RESEARCH LABORATORIES (KR) 2011-02-03 US disclosed
US-20110028467-A1 HETEROCYCLIC DERIVATIVES C&C RESEARCH LABORATORIES (KR) 2011-02-03 US disclosed
EP-2266989-A2 HETEROCYCLIC DERIVATIVES C&c Research Laboratories (KR) 2010-12-29 EP disclosed
WO-2009145456-A2 HETEROCYCLIC DERIVATIVES 주식회사 씨앤드씨신약연구소 (KR) 2009-12-03 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-20110028467-A1 HETEROCYCLIC DERIVATIVES XDH, NUDT1, UGDH SLC22A12 692/4885SLC22A6 625/4885SLC22A8 119/4885

“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.