SCHEMBL914337

SCHEMBL914337

CC(C)(C)c1ccc(-c2nc3cc(Cl)ccc3c(=O)o2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.53
ELANE P08246 2/20 0.53
ALDH1A1 P00352 6/20 0.53
KDM4E B2RXH2 5/20 0.53
HPGD P15428 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
MAPT P10636 3/20 0.51
POLB P06746 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
GFER P55789 1/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
NOTUM Q6P988 1/20 0.46
RXFP1 Q9HBX9 2/20 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
SCHEMBL6567250 0.89 APEX1 (0.63) APEX1ELANEALDH1A1KDM4EHPGD
SCHEMBL10275908 0.87 APEX1 (0.56) APEX1ELANEALDH1A1KDM4EHPGD
SCHEMBL6565952 0.82 APEX1 (0.59) APEX1ELANEALDH1A1KDM4EHPGD
SCHEMBL913296 0.82 ALDH1A1 (0.55) APEX1ELANEALDH1A1KDM4EHPGD
SCHEMBL914211 0.81 ELANE (0.71) ELANEALDH1A1KDM4EHPGDMEN1
SCHEMBL6170277 0.80 MEN1 (0.60) APEX1ELANEALDH1A1MEN1KMT2A
SCHEMBL6106602 0.78 HDAC6 (0.55) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL7191472 0.78 IKBKB (0.42) ELANEALDH1A1KDM4EMEN1KMT2A
SCHEMBL914201 0.78 MEN1 (0.68) APEX1ELANEALDH1A1KDM4EHPGD
SCHEMBL2328301 0.77 ALDH1A1 (0.63) APEX1ELANEALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003007955-A2 BIPHENYL APURINIC/APYRIMIDINIC SITE ENDONUCLEASE INHIBITORS TO TREAT CANCER CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2003-01-30 WO claimed
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
EP-1631295-A2 USE OF FUSED HETEROCYCLIC COMPOUNDS AS SCCE INHIBITORS FOR THE TREATMENT OF SKIN CONDITIONS OR CANCER Arexis AB (SE) 2006-03-08 EP disclosed
WO-2004108139-A2 USE OF FUSED HETEROCYCLIC COMPOUNDS AS SCCE INHIBITORS FOR THE TREATMENT OF SKIN CONDITIONS OR CANCER AREXIS AB (SE) 2004-12-16 WO 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 APEX1 1422/4885ELANE 353/4885ALDH1A1 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.