SCHEMBL24177658

SCHEMBL24177658

O=C(NC[C@H]1CN(c2ccccc2)COCO1)c1ccc(Cl)s1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 20/20 0.66
▸ F2 P00734 3/20 0.53
▸ ABCB11 O95342 1/20 0.51
▸ ST14 Q9Y5Y6 1/20 0.51

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
SCHEMBL24177659 0.80 F10 (1.00) F10F2ABCB11ST14
SCHEMBL77589 0.80 F10 (1.00) F10F2ABCB11ST14
SCHEMBL13698655 0.80 F10 (1.00) F10F2ABCB11ST14
SCHEMBL21305662 0.76 F10 (0.80) F10F2ABCB11ST14
SCHEMBL946532 0.75 F10 (0.59) F10F2ABCB11ST14
SCHEMBL76883 0.75 F10 (0.59) F10F2ABCB11ST14
SCHEMBL16781204 0.74 F10 (0.66) F10F2ABCB11ST14
SCHEMBL17707638 0.72 F10 (0.52) F10F2
SCHEMBL79715 0.72 F10 (1.00) F10F2ABCB11ST14
SCHEMBL77512 0.72 F10 (0.74) F10F2ABCB11ST14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230227425-A1 REAGENTS AND PROCESS FOR DIRECT C-H FUNCTIONALIZATION STUDIENGESELLSCHAFT KOHLE MBH (DE) 2023-07-20 — — US disclosed
US-20220002263-A1 REAGENTS AND PROCESS FOR DIRECT C-H FUNCTIONALIZATION STUDIENGESELLSCHAFT KOHLE MBH (DE) 2022-01-06 — — 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-20230227425-A1 REAGENTS AND PROCESS FOR DIRECT C-H FUNCTIONALIZATION CFH, DOHH, CTSH F10 560/4885F2 915/4885ABCB11 4802/4885
US-20220002263-A1 REAGENTS AND PROCESS FOR DIRECT C-H FUNCTIONALIZATION CFH, DOHH, CTSH F10 560/4885F2 915/4885ABCB11 4802/4885

“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