SCHEMBL12833288

SCHEMBL12833288

NCCOCCOCCNc1nc(Nc2ccccc2)nc(Nc2ccc(O)cc2)n1

nearest known ligand 0.70

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ KCNH3 Q9ULD8 3/20 0.64

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
SCHEMBL12445518 0.88 KCNH3 (0.64) KCNH3
SCHEMBL18671546 0.87 — —
SCHEMBL12832765 0.85 KCNH3 (0.62) KCNH3
SCHEMBL12833289 0.83 KCNH3 (0.59) KCNH3
SCHEMBL12445526 0.83 KCNH3 (0.59) KCNH3
SCHEMBL12445649 0.83 — —
SCHEMBL12833040 0.82 — —
SCHEMBL12832771 0.82 KCNH3 (0.58) KCNH3
SCHEMBL12833290 0.82 KCNH3 (0.58) KCNH3
SCHEMBL16449250 0.82 KCNH3 (0.57) KCNH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9603852-B2 Treatment of obesity and pulmonary arterial hypertension ALBERT EINSTEIN COLLEGE OF MEDICINE, INC. (US) 2017-03-28 — — US disclosed
US-9603852-B2 Treatment of obesity and pulmonary arterial hypertension ALBERT EINSTEIN COLLEGE OF MEDICINE, INC. (US) 2017-03-28 — — US disclosed
EP-2488032-B1 PROSTAGLANDIN TRANSPORTER INHIBITORS AND USES THEREOF EINSTEIN COLL MED (US) 2016-11-02 — — EP disclosed
US-20160113933-A1 TREATMENT OF OBESITY AND PULMONARY ARTERIAL HYPERTENSION ALBERT EINSTEIN COLLEGE OF MEDICINE, INC. (US) 2016-04-28 — — US disclosed
US-20160113933-A1 TREATMENT OF OBESITY AND PULMONARY ARTERIAL HYPERTENSION ALBERT EINSTEIN COLLEGE OF MEDICINE, INC. (US) 2016-04-28 — — US disclosed
US-8952150-B2 Prostaglandin transporter inhibitors and uses thereof ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2015-02-10 — — US disclosed
US-8952150-B2 Prostaglandin transporter inhibitors and uses thereof ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2015-02-10 — — US disclosed
WO-2014204895-A1 TREATMENT OF OBESITY AND PULMONARY ARTERIAL HYPERTENSION ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2014-12-24 — — WO disclosed
WO-2011037610-A1 PROSTAGLANDIN TRANSPORTER INHIBITORS AND USES THEREOF ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2011-03-31 — — 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-20160113933-A1 TREATMENT OF OBESITY AND PULMONARY ARTERIAL HYPERTENSION PTGIR, PTGIS, FABP4 KCNH3 2369/4885

“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.

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