SCHEMBL6878709

SCHEMBL6878709

CN(C)C(=O)CCCCBr

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
CHRNB2 P17787 1/20 0.48
CHRNB4 P30926 1/20 0.48
CHRNA4 P43681 1/20 0.48
LMNA P02545 2/20 0.37
HTT P42858 1/20 0.37
KDM4A O75164 10/20 0.34
KDM4C Q9H3R0 10/20 0.34
KDM5A P29375 1/20 0.34
KDM7A Q6ZMT4 1/20 0.34
PHF8 Q9UPP1 1/20 0.34
KDM2A Q9Y2K7 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TBXAS1 P24557 1/20 0.33

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
SCHEMBL10629907 0.98 ALDH1A1 (0.56) ALDH1A1CHRNB2CHRNB4CHRNA4LMNA
SCHEMBL5532786 0.98 ALDH1A1 (0.56) ALDH1A1CHRNB2CHRNB4CHRNA4LMNA
SCHEMBL7390301 0.98 ALDH1A1 (0.56) ALDH1A1CHRNB2CHRNB4CHRNA4LMNA
SCHEMBL8636451 0.98 ALDH1A1 (0.56) ALDH1A1CHRNB2CHRNB4CHRNA4LMNA
SCHEMBL7389052 0.92
SCHEMBL131476 0.87 ALDH1A1 (0.74) ALDH1A1CHRNB2CHRNB4CHRNA4LMNA
SCHEMBL3189950 0.84 ALDH1A1 (0.70) ALDH1A1CHRNB2CHRNB4CHRNA4LMNA
SCHEMBL4056869 0.81
SCHEMBL9365362 0.81 ALOX5 (0.47) ALDH1A1KDM4AKDM4CKDM5AKDM7A
SCHEMBL9361792 0.81 ALOX5 (0.47) ALDH1A1KDM4AKDM4CKDM5AKDM7A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110053961-A1 SUBSTITUTED XANTHINE DERIVATIVES CONCERT PHARMACEUTICALS, INC. 2011-03-03 US disclosed
US-20110053961-A1 SUBSTITUTED XANTHINE DERIVATIVES CONCERT PHARMACEUTICALS, INC. 2011-03-03 US disclosed
US-6001877-A OF GIVEN FORMULA, WHICH ACTS AS AN ANTAGONIST OF LEUKOTRIENES; ADMINISTERING TO TREAT LEUKOTRIENE-B4 INDUCED DISEASES, SUCH AS ALLERGIES AND INFLAMMATION ONO PHARMACEUTICAL CO., LTD. (JP) 1999-12-14 US disclosed
US-5864039-A THERAPEUTIC TREATMENT OF VARIOUS GASTROINTESTINAL DISEASES, CENTRAL NERVOUS DISORDERS, CARDIOVASCULAR DISORDERS, URINARY DISEASES, UROGENITAL DISORDERS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1999-01-26 US disclosed
EP-0873990-A1 BENZOIC ACID COMPOUNDS AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1998-10-28 EP disclosed
US-5795914-A Phenylalkan(en)oic acid ONO PHARMACEUTICAL CO., LTD. (JP) 1998-08-18 US disclosed
EP-0652208-B1 Phenylalkan(en)oic acids with leukotriene B4 antagonistic activity ONO PHARMACEUTICAL CO (JP) 1998-01-14 EP disclosed
EP-0405116-B1 Phenylalkan(en)oic acids ONO PHARMACEUTICAL CO (JP) 1995-12-06 EP disclosed
US-5457122-A Leukotriene antagonists ONO PHARMACEUTICAL CO., LTD. (JP) 1995-10-10 US disclosed
EP-0652208-A1 Phenylalkan(en)oic acids with leukotriene B4 antagonistic activity ONO PHARMACEUTICAL CO., LTD. (JP) 1995-05-10 EP disclosed
US-5256686-A Antiinflammatory agent, antiallergens ONO PHARMACEUTICAL CO., LTD. (JP) 1993-10-26 US disclosed
US-5155104-A Phenylalkan(en)oic acid ONO PHARMACEUTICAL CO., LTD. (JP) 1992-10-13 US disclosed
US-5086065-A Leukotriene antagonists ONO PHARMACEUTICAL CO., LTD. (JP) 1992-02-04 US disclosed
EP-0405116-A2 Phenylalkan(en)oic acids ONO PHARMACEUTICAL CO., LTD. (JP) 1991-01-02 EP 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-20110053961-A1 SUBSTITUTED XANTHINE DERIVATIVES XDH, HPRT1, CXCR3 ALDH1A1 699/4885CHRNB2 2342/4885CHRNB4 1820/4885

“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.