SCHEMBL6479593

SCHEMBL6479593

CC(Br)COc1ccc(I)cc1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
APP P05067 12/20 0.47
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.37
MAOA P21397 1/20 0.36
PTGS1 P23219 1/20 0.36

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
SCHEMBL173790 0.83 APP (0.50) APPLMNAMAPT
SCHEMBL29120468 0.81 CYP2C9 (0.53) APPMAPTMAOA
SCHEMBL4517217 0.79 LMNA (0.64) APPLMNAMAPTPTGS1
SCHEMBL18260995 0.79 APP (0.47) APPLMNAMAOA
SCHEMBL4861264 0.78 LMNA (0.63) LMNAMAOAPTGS1
SCHEMBL25378071 0.75 GPR88 (0.44) APP
SCHEMBL9270450 0.75 ACACB (0.40) LMNAMAPT
SCHEMBL1588646 0.74 APP (0.50) APP
SCHEMBL7288111 0.73 LMNA (0.56) LMNAMAPTMAOAPTGS1
SCHEMBL19908486 0.73 APP (0.47) APPLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6894059-B1 Compounds and methods for treatment of asthma, allergy and inflammatory disorders UCB S.A. (BE) 2005-05-17 US disclosed
EP-1165533-B1 COMPOUNDS AND METHODS FOR TREATMENT OF ASTHMA, ALLERGY AND INFLAMMATORY DISORDERS UCB SA (BE) 2004-10-13 EP disclosed
US-6797713-B2 Compounds and methods for treatment of asthma, allergy and inflammatory disorders UCB S.A. (BE) 2004-09-28 US disclosed
EP-1418173-A1 N-(3-butyn-1-yl) N-hydroxyurea UCB, S.A. (BE) 2004-05-12 EP disclosed
US-20040048875-A1 Compounds and methods for treatment of asthma, allergy and inflammatory disorders UCB S.A. 2004-03-11 US disclosed
US-6686502-B1 N-HYDROXYL-N-(3-BUTYNYL)-UREA CHEMICAL INTERMEDIATE FOR PIPERIDINE OR PIPERAZINE DERIVATIVES UCB S.A. (BE) 2004-02-03 US disclosed
US-20030220347-A1 Compounds and methods for treatment of asthma, allergy and inflammatory disorders UCB S.A. 2003-11-27 US disclosed
US-6451801-B1 1,4-SUBSTITUTED PIPERIDINES AND PIPERAZINES UCB, S.A. (BE) 2002-09-17 US disclosed
EP-1165533-A2 COMPOUNDS AND METHODS FOR TREATMENT OF ASTHMA, ALLERGY AND INFLAMMATORY DISORDERS UCB, S.A. (BE) 2002-01-02 EP disclosed
WO-2000058295-A2 COMPOUNDS AND METHODS FOR TREATMENT OF ASTHMA, ALLERGY AND INFLAMMATORY DISORDERS UCB, S.A. (BE) 2000-10-05 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-20030220347-A1 Compounds and methods for treatment of asthma, allergy and inflammatory disorders HRH4, HRH2, HRH3 APP 749/4885LMNA 4146/4885MAPT 3862/4885
US-20040048875-A1 Compounds and methods for treatment of asthma, allergy and inflammatory disorders HRH4, HRH2, HRH3 APP 749/4885LMNA 4146/4885MAPT 3862/4885

“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.