SCHEMBL2493545

SCHEMBL2493545

[O]C(c1cccnc1)c1cccnc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.58
SLC6A2 P23975 1/20 0.58
SLC6A4 P31645 1/20 0.58
SLC6A3 Q01959 1/20 0.58
GOPC Q9HD26 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.54
KCNN4 O15554 2/20 0.50
KCNA5 P22460 2/20 0.50
CYP19A1 P11511 2/20 0.50
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2A6 P11509 1/20 0.46
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.45
TSHR P16473 2/20 0.44
MAPT P10636 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL9186549 0.93 CFTR (0.63) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL28810173 0.81
SCHEMBL365218 0.81
SCHEMBL6203891 0.81
SCHEMBL30141488 0.80
SCHEMBL6587864 0.80
SCHEMBL3887188 0.79 CFTR (0.62) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL28946308 0.79 CFTR (0.47) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL16180508 0.76
SCHEMBL1975275 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8030332-B2 Potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2011-10-04 US disclosed
US-20090069312-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-03-12 US disclosed
EP-1981508-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2008-10-22 EP disclosed
WO-2007089743-A3 POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2007-12-13 WO disclosed
WO-2007089743-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-08-09 WO disclosed
US-5405843-A Anticancer drug potentiators MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1995-04-11 US disclosed
EP-0363212-B1 Novel heterocyclic compounds and anticancer-drug reinforcing agents containing them as effective components MITSUI TOATSU CHEMICALS (JP) 1995-01-04 EP disclosed
US-5204348-A Quinoline derivatives MITSUI TOATSU CHEMICALS INC. (JP) 1993-04-20 US disclosed
US-5112817-A Anticancer Drug Potentiators MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1992-05-12 US disclosed
EP-0363212-A2 Novel heterocyclic compounds and anticancer-drug reinforcing agents containing them as effective components MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-04-11 EP 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-20090069312-A1 Potassium Channel Inhibitors KCNJ2, KCNH2, KCNH3 CFTR 479/4885SLC6A2 851/4885SLC6A4 903/4885

“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.