SCHEMBL12445518

SCHEMBL12445518

CCCOCCOCCNc1nc(Nc2ccccc2)nc(Nc2ccc(O)cc2)n1

nearest known ligand 0.70

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ KCNH3 Q9ULD8 4/20 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
SCHEMBL12833288 0.88 KCNH3 (0.64) KCNH3
SCHEMBL12833289 0.86 KCNH3 (0.59) KCNH3
SCHEMBL12445526 0.86 KCNH3 (0.59) KCNH3
SCHEMBL12832765 0.85 KCNH3 (0.62) KCNH3
SCHEMBL12832771 0.85 KCNH3 (0.58) KCNH3
SCHEMBL12833040 0.82 — —
SCHEMBL12833290 0.82 KCNH3 (0.58) KCNH3
SCHEMBL16449250 0.82 KCNH3 (0.57) KCNH3
SCHEMBL13483165 0.81 KCNH3 (0.72) KCNH3
SCHEMBL12832779 0.81 — —

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 4 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-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-20120238577-A1 PROSTAGLANDIN TRANSPORTER INHIBITORS AND USES THEREOF ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2012-09-20 — — US 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 (2 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-20120238577-A1 PROSTAGLANDIN TRANSPORTER INHIBITORS AND USES THEREOF PTGIS, SLC2A1, SLC2A3 KCNH3 2236/4885
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.

Send feedback