SCHEMBL7053834

SCHEMBL7053834

COc1ccc(-c2nc(Br)sc2-c2ccc(Br)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.58
MAPT P10636 6/20 0.58
KDM4E B2RXH2 5/20 0.58
PTGDR2 Q9Y5Y4 2/20 0.52
GAA P10253 4/20 0.51
LMNA P02545 4/20 0.51
KMT2A Q03164 4/20 0.50
HTT P42858 1/20 0.50
RECQL P46063 1/20 0.50
HPGD P15428 2/20 0.49
PTGS2 P35354 4/20 0.48
MEN1 O00255 3/20 0.47
ALOX5 P09917 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
CYP1A2 P05177 1/20 0.45
GLA P06280 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
PTGS1 P23219 1/20 0.45

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
SCHEMBL11275957 0.89 PTGDR2 (0.61) ALDH1A1MAPTKDM4EPTGDR2GAA
SCHEMBL7050538 0.86 MAPT (0.59) ALDH1A1MAPTKDM4EPTGDR2GAA
SCHEMBL7054803 0.86 ALDH1A1 (0.54) ALDH1A1MAPTKDM4EPTGDR2GAA
SCHEMBL11455410 0.81 PTGS2 (0.66) ALDH1A1MAPTKDM4EPTGDR2GAA
SCHEMBL11563601 0.77 ALDH1A1 (0.72) ALDH1A1MAPTKDM4EGAALMNA
SCHEMBL10799962 0.76 ALDH1A1 (0.61) ALDH1A1MAPTKDM4EGAALMNA
SCHEMBL10799967 0.76 ALDH1A1 (0.61) ALDH1A1MAPTKDM4EGAALMNA
SCHEMBL5530041 0.76 ALDH1A1 (0.61) ALDH1A1MAPTKDM4EGAALMNA
SCHEMBL8067414 0.76 MAPT (0.69) ALDH1A1MAPTKDM4EGAALMNA
SCHEMBL11274476 0.75 ALOX5 (0.73) ALDH1A1MAPTKDM4EPTGDR2LMNA

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
US-6602895-B2 Inhibitors of factor Xa with a neutral P1 specificity group BRISTOL-MYERS SQUIBB COMPANY 2003-08-05 US disclosed
US-20030092740-A1 Inhibitors of factor Xa with a neutral P1 specificity group GALEMMO ROBERT A (US) 2003-05-15 US disclosed
US-6403620-B1 ANTICOAGULANT AGENTS FOR TREATMENT AND PREVENTION OF THROMBOEMBOLIC DISORDERS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-06-11 US disclosed
EP-0991625-A2 INHIBITORS OF FACTOR XA WITH A NEUTRAL P1 SPECIFICITY GROUP THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 2000-04-12 EP disclosed
US-5998424-A ANTICOAGULANTS DUPONT PHARMACEUTICALS COMPANY (US) 1999-12-07 US disclosed
WO-1998057937-A2 INHIBITORS OF FACTOR XA WITH A NEUTRAL P1 SPECIFICITY GROUP THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-12-23 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-20030092740-A1 Inhibitors of factor Xa with a neutral P1 specificity group F12, F11, SERPINC1 ALDH1A1 1329/4885MAPT 4818/4885KDM4E 3737/4885

“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.