SCHEMBL914306

SCHEMBL914306

COc1ccc(Br)c(-c2nc3ccccc3c(=O)o2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C1R P00736 6/20 0.65
KMT2A Q03164 2/20 0.65
ALDH1A1 P00352 7/20 0.64
NPC1 O15118 6/20 0.64
KDM4E B2RXH2 5/20 0.64
RAB9A P51151 5/20 0.64
SMN1; SMN2 Q16637 4/20 0.64
MAPT P10636 3/20 0.64
LMNA P02545 1/20 0.64
HPGD P15428 4/20 0.64
F2 P00734 2/20 0.64
ELANE P08246 2/20 0.58
CTSG P08311 1/20 0.53
KLK7 P49862 1/20 0.53
CTRC Q99895 1/20 0.53
KLK14 Q9P0G3 1/20 0.53
KLK5 Q9Y337 1/20 0.53
PLG P00747 1/20 0.51
KLK1 P06870 1/20 0.51
PRSS1 P07477 1/20 0.51

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
SCHEMBL17554168 0.82 C1R (0.65) C1RKMT2AALDH1A1NPC1KDM4E
SCHEMBL5299192 0.80 C1R (1.00) C1RKMT2AALDH1A1NPC1KDM4E
SCHEMBL692625 0.79 ALDH1A1 (1.00) C1RKMT2AALDH1A1NPC1KDM4E
SCHEMBL29633759 0.79 ALDH1A1 (1.00) C1RKMT2AALDH1A1NPC1KDM4E
SCHEMBL5772611 0.78 ALDH1A1 (1.00) C1RKMT2AALDH1A1NPC1KDM4E
SCHEMBL14417715 0.78 ALDH1A1 (0.94) C1RKMT2AALDH1A1NPC1KDM4E
SCHEMBL12010961 0.78 ALDH1A1 (1.00) C1RKMT2AALDH1A1NPC1KDM4E
SCHEMBL1463884 0.76 ALDH1A1 (0.75) C1RKMT2AALDH1A1NPC1KDM4E
SCHEMBL5793545 0.76 C1R (0.76) C1RKMT2AALDH1A1NPC1KDM4E
SCHEMBL30366271 0.76 C1R (1.00) C1RKMT2AALDH1A1NPC1KDM4E

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 5 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
WO-1999048878-A1 HETEROCYCLIC COMPOUNDS REGULATING CLOTTING NOVO NORDISK A/S (DK) 1999-09-30 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-20060258651-A1 Use of heterocyclic compounds as scce inhibitors RCE1, CTSE, SPINT2 C1R 202/4885KMT2A 2584/4885ALDH1A1 584/4885

“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.