SCHEMBL6491785

SCHEMBL6491785

N#CC(O)c1cc(Br)ccc1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 3/20 0.49
ALDH1A1 P00352 5/20 0.48
USP28 Q96RU2 1/20 0.48
USP25 Q9UHP3 1/20 0.48
RAB9A P51151 1/20 0.48
SGMS2 Q8NHU3 7/20 0.48
LMNA P02545 3/20 0.48
HTT P42858 1/20 0.47
SLC6A4 P31645 1/20 0.46
MAOB P27338 1/20 0.44
LRRK2 Q5S007 1/20 0.44
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL8166488 0.83 CCR5 (0.58) CCR5ALDH1A1USP28USP25RAB9A
SCHEMBL31065341 0.82 CCR5 (0.50) CCR5ALDH1A1USP28USP25RAB9A
SCHEMBL23599912 0.81 USP28 (0.54) CCR5ALDH1A1USP28USP25RAB9A
SCHEMBL7121592 0.81 LRRK2 (0.49) CCR5ALDH1A1USP28USP25RAB9A
SCHEMBL31065358 0.80 CCR5 (0.53) CCR5ALDH1A1USP28USP25RAB9A
SCHEMBL80676 0.80 CCR5 (0.53) CCR5ALDH1A1USP28USP25RAB9A
SCHEMBL3915066 0.80 CCR5 (0.60) CCR5ALDH1A1USP28USP25RAB9A
SCHEMBL7116275 0.80 CCR5 (0.48) CCR5ALDH1A1USP28USP25RAB9A
SCHEMBL8161790 0.78 CCR5 (0.59) CCR5ALDH1A1USP28USP25RAB9A
SCHEMBL17700565 0.77 CCR5 (0.58) CCR5ALDH1A1USP28USP25RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6916805-B2 Quinoxalinones as serine protease inhibitors WARNER-LAMBERT COMPANY LLC (US) 2005-07-12 US disclosed
US-20030187256-A1 Benoxazinones/benzothiazinones as serine protease inhibitors BERRYMAN KENT ALAN (US) 2003-10-02 US disclosed
US-6509335-B1 This invention discloses benzoxazinone and benzothiazinone compounds which display inhibitory effects on serine proteases such as factor Xa, thrombin, and/or factor VIIa. The invention also discloses pharmaceutically acceptable salts of WARNER-LAMBERT COMPANY 2003-01-21 US disclosed
US-20020086866-A1 Quinoxalinones as serine protease inhibitors DUDLEY DANETTE ANDREA (US) 2002-07-04 US disclosed
US-6410536-B1 ANTICOAGULANTS WARNER-LAMBERT COMPANY 2002-06-25 US disclosed
EP-1068191-A1 BENZOXAZINONES/BENZOTHIAZINONES AS SERINE PROTEASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2001-01-17 EP disclosed
EP-1068190-A1 QUINOXALINONES AS SERINE PROTEASE INHIBITORS SUCH AS FACTOR XA AND THROMBIN WARNER-LAMBERT COMPANY LLC (US) 2001-01-17 EP disclosed
WO-1999050254-A1 QUINOXALINONES AS SERINE PROTEASE INHIBITORS SUCH AS FACTOR XA AND THROMBIN WARNER-LAMBERT COMPANY (US) 1999-10-07 WO disclosed
WO-1999050257-A1 BENZOXAZINONES/BENZOTHIAZINONES AS SERINE PROTEASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1999-10-07 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-20020086866-A1 Quinoxalinones as serine protease inhibitors HABP2, SERPINB1, PRSS1 CCR5 3270/4885ALDH1A1 1960/4885USP28 2622/4885
US-20030187256-A1 Benoxazinones/benzothiazinones as serine protease inhibitors HABP2, SPINT2, SERPINB1 CCR5 2520/4885ALDH1A1 2444/4885USP28 3142/4885

“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.