SCHEMBL19743595

SCHEMBL19743595

CNC(=O)Oc1cccc(OCCBr)c1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 12/20 0.52
BCHE P06276 6/20 0.51
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 2/20 0.47
NSD2 O96028 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44

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
SCHEMBL10815679 0.83 ACHE (0.61) ACHEBCHEALDH1A1KDM4ESMN1; SMN2
SCHEMBL28331319 0.83 ACHE (0.51) ACHEBCHEALDH1A1KDM4ESMN1; SMN2
SCHEMBL4576561 0.83 LMNA (0.54) ACHEALDH1A1KDM4ENSD2SMN1; SMN2
SCHEMBL11508983 0.80 ACHE (0.49) ACHEBCHEALDH1A1KDM4ENSD2
SCHEMBL28660202 0.80 KMT2A (0.67) ALDH1A1KDM4ENSD2SMN1; SMN2MTNR1A
SCHEMBL8155382 0.78 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2
SCHEMBL7249861 0.78 KMT2A (0.47) ACHEALDH1A1KDM4E
SCHEMBL11510540 0.78 GAA (0.48) ACHEBCHEALDH1A1KDM4EMTNR1A
SCHEMBL20264521 0.77 BCHE (0.55) ACHEBCHEALDH1A1KDM4ESMN1; SMN2
Metolcarb SCHEMBL11863745 0.76 LMNA (0.44) ACHEBCHEALDH1A1KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3475268-B9 COMPOUNDS FOR TREATING DISORDERS SENSITIVE TO SEROTONINERGIC REGULATION CONTROLLED BY THE 5-HT1A RECEPTORS NEUROLIXIS (FR) 2021-04-21 EP disclosed
EP-3475268-B1 COMPOUNDS FOR TREATING DISORDERS SENSITIVE TO SEROTONINERGIC REGULATION CONTROLLED BY THE 5-HT1A RECEPTORS NEUROLIXIS (FR) 2020-08-19 EP disclosed
US-10562853-B2 Compounds for treating disorders sensitive to serotoninergic regulation controlled by the 5-HT1A receptors NEUROLIXIS (FR) 2020-02-18 US disclosed
US-20190194132-A1 COMPOUNDS FOR TREATING DISORDERS SENSITIVE TO SEROTONINERGIC REGULATION CONTROLLED BY THE 5-HT1A RECEPTORS NEUROLIXIS (FR) 2019-06-27 US disclosed
EP-3475268-A1 COMPOUNDS FOR TREATING DISORDERS SENSITIVE TO SEROTONINERGIC REGULATION CONTROLLED BY THE 5-HT1A RECEPTORS Neurolixis (FR) 2019-05-01 EP disclosed
WO-2017220799-A1 COMPOUNDS FOR TREATING DISORDERS SENSITIVE TO SEROTONINERGIC REGULATION CONTROLLED BY THE 5-HT1A RECEPTORS NEUROLIXIS (FR) 2017-12-28 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 (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-10562853-B2 Compounds for treating disorders sensitive to serotoninergic regulation controlled by the 5-HT1A receptors HTR5A, HTR1A, HTR1E ACHE 1030/4885BCHE 3709/4885ALDH1A1 1612/4885
US-20190194132-A1 COMPOUNDS FOR TREATING DISORDERS SENSITIVE TO SEROTONINERGIC REGULATION CONTROLLED BY THE 5-HT1A RECEPTORS HTR5A, HTR1A, HTR1E ACHE 1030/4885BCHE 3709/4885ALDH1A1 1612/4885

“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.