SCHEMBL17027265

SCHEMBL17027265

CC1(C)Oc2cc(Cl)ccc2NC1=O

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 12/20 0.56
▸ PDE3B Q13370 2/20 0.47
▸ PDE3A Q14432 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ PGR P06401 3/20 0.44
▸ IDO1 P14902 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ HPGD P15428 1/20 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
SCHEMBL8256073 0.86 KDM4E (0.55) BRD4PDE3BPDE3AKDM4EALDH1A1
SCHEMBL2722518 0.81 BRD4 (0.60) BRD4PDE3BPDE3AKDM4EALDH1A1
SCHEMBL1396628 0.79 BRD4 (0.56) BRD4PDE3BPDE3AKDM4EALDH1A1
SCHEMBL29706799 0.79 BRD4 (0.61) BRD4PDE3BPDE3AKDM4EALDH1A1
SCHEMBL3588753 0.79 BRD4 (0.50) BRD4PDE3BPDE3AKDM4EALDH1A1
SCHEMBL19030688 0.79 BRD4 (0.61) BRD4PDE3BPDE3AKDM4EALDH1A1
SCHEMBL755992 0.79 BRD4 (0.50) BRD4PDE3BPDE3AKDM4EALDH1A1
SCHEMBL18307135 0.79 BRD4 (0.50) BRD4PDE3BPDE3AKDM4EALDH1A1
SCHEMBL13574297 0.79 BRD4 (0.50) BRD4PDE3BPDE3AKDM4EALDH1A1
SCHEMBL754751 0.79 PGR (0.42) BRD4PGRIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170066717-A1 NEW PHENYLAZETIDINECARBOXYLATE OR -CARBOXAMIDE COMPOUNDS INVENTIVA (FR) 2017-03-09 — — US disclosed
EP-3107910-A1 NEW PHENYLAZETIDINE, CARBOXYLATE OR CARBOXAMIDE COMPOUNDS INVENTIVA (FR) 2016-12-28 — — EP disclosed
WO-2015124868-A1 NEW PHENYLAZETIDINE, CARBOXYLATE OR CARBOXAMIDE COMPOUNDS INVENTIVA (FR) 2015-08-27 — — 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-20170066717-A1 NEW PHENYLAZETIDINECARBOXYLATE OR -CARBOXAMIDE COMPOUNDS NCOR1, NCOR2, NCOA1 BRD4 120/4885PDE3B 2339/4885PDE3A 1882/4885

“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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