SCHEMBL914556

SCHEMBL914556

O=c1oc(-c2ccccc2Br)nc2ccc(Cl)cc12

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
C1R P00736 10/20 0.72
KMT2A Q03164 1/20 0.70
ELANE P08246 2/20 0.59
APEX1 P27695 2/20 0.57
ALDH1A1 P00352 2/20 0.57
KDM4E B2RXH2 1/20 0.57
MAPT P10636 2/20 0.53
PRSS1 P07477 2/20 0.49
CTSG P08311 1/20 0.49
KLK7 P49862 1/20 0.49
KLK14 Q9P0G3 1/20 0.49
KLK5 Q9Y337 1/20 0.49
F2 P00734 1/20 0.48
PLG P00747 1/20 0.48
KLK1 P06870 1/20 0.48
C1S P09871 1/20 0.48
ATM Q13315 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL9986010 0.89 APEX1 (0.72) C1RKMT2AELANEAPEX1ALDH1A1
SCHEMBL5257308 0.84 C1R (0.72) C1RKMT2AELANEAPEX1ALDH1A1
SCHEMBL5299192 0.83 C1R (1.00) C1RKMT2AELANEALDH1A1KDM4E
SCHEMBL2704120 0.81 C1R (0.68) C1RKMT2AELANEAPEX1ALDH1A1
SCHEMBL2328301 0.78 ALDH1A1 (0.63) C1RKMT2AELANEAPEX1ALDH1A1
SCHEMBL5921767 0.78 C1R (0.63) C1RKMT2AELANEAPEX1ALDH1A1
SCHEMBL9984778 0.75 APEX1 (0.76) C1RKMT2AELANEAPEX1ALDH1A1
SCHEMBL916032 0.75 C1R (0.74) C1RKMT2AELANEAPEX1ALDH1A1
SCHEMBL6563950 0.74 ALDH1A1 (0.59) C1RKMT2AELANEAPEX1ALDH1A1
SCHEMBL29574035 0.74 ELANE (1.00) C1RKMT2AELANEMAPTPRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6180625-B1 MODULATING AND NORMALIZING AN IMPAIRED HAEMOSTATIC BALANCE IN A MAMMAL, WHICH METHOD COMPRISES ADMINISTERING AN EFFECTIVE AMOUNT OF NOVEL BENZOXAZIN DERIVATIVES; ANTICOAGULANTS NOVO NORDISK A/S (DK) 2001-01-30 US claimed
US-7872052-B2 Use of heterocyclic compounds as SCCE inhibitors AREXIS AB (SE) 2011-01-18 US disclosed
US-20060258651-A1 Use of heterocyclic compounds as scce inhibitors QUANTUM LTO HOLDINGS, LLC 2006-11-16 US disclosed
US-6180625-B1 MODULATING AND NORMALIZING AN IMPAIRED HAEMOSTATIC BALANCE IN A MAMMAL, WHICH METHOD COMPRISES ADMINISTERING AN EFFECTIVE AMOUNT OF NOVEL BENZOXAZIN DERIVATIVES; ANTICOAGULANTS NOVO NORDISK A/S (DK) 2001-01-30 US 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-20060258651-A1 Use of heterocyclic compounds as scce inhibitors RCE1, CTSE, SPINT2 C1R 202/4885KMT2A 2584/4885ELANE 353/4885

“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.