SCHEMBL17147459

SCHEMBL17147459

CCOC(=O)c1cc(CCCN2CCCCC2)nc2nn(Cc3ccc(Oc4ccccc4)cc3)c(C)c12

nearest known ligand 0.46

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.40

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
SCHEMBL17149308 0.92 ALDH1A1 (0.41) —
SCHEMBL17147521 0.88 KDM4E (0.42) —
SCHEMBL17927923 0.86 TRPC5 (0.40) HRH3
SCHEMBL17147473 0.86 TSHR (0.46) —
SCHEMBL17147449 0.82 TSHR (0.47) —
SCHEMBL17147447 0.81 TSHR (0.46) —
SCHEMBL17147502 0.81 KDM4E (0.41) —
SCHEMBL17147445 0.79 TSHR (0.42) —
SCHEMBL17147468 0.79 TDP1 (0.53) —
SCHEMBL17928422 0.79 ALDH1A1 (0.45) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150284387-A1 SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-10-08 — — 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 (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-20150284387-A1 SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF MCL1, BCL2L1, API5 HRH3 4115/4885

“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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