SCHEMBL914528

SCHEMBL914528

O=c1oc(-c2ccncc2)nc2ccc(Br)cc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.61
ALDH1A1 P00352 5/20 0.61
KMT2A Q03164 4/20 0.61
MEN1 O00255 3/20 0.61
CYP1A2 P05177 1/20 0.61
HPGD P15428 1/20 0.61
CYP2C19 P33261 1/20 0.61
TP53 P04637 1/20 0.60
RAB9A P51151 5/20 0.58
NPC1 O15118 4/20 0.58
RXFP1 Q9HBX9 1/20 0.58
MAPT P10636 4/20 0.57
ELANE P08246 1/20 0.50
TDP1 Q9NUW8 1/20 0.46
POLB P06746 1/20 0.46
PTK2B Q14289 1/20 0.46
F2 P00734 1/20 0.46
HPN P05981 1/20 0.43
PIK3CB P42338 2/20 0.42
PIK3CA P42336 1/20 0.42

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
SCHEMBL6565665 0.91 TP53 (0.70) KDM4EALDH1A1KMT2AMEN1CYP1A2
SCHEMBL2843939 0.88 NPC1 (0.70) KDM4EALDH1A1KMT2AMEN1CYP1A2
SCHEMBL6565595 0.84 TP53 (0.65) KDM4EALDH1A1KMT2AMEN1CYP1A2
SCHEMBL915332 0.78 ELANE (0.81) KDM4EALDH1A1KMT2AMEN1HPGD
SCHEMBL30893109 0.78 ALDH1A1 (0.70) KDM4EALDH1A1KMT2AMEN1CYP1A2
SCHEMBL18131027 0.78 ALDH1A1 (0.70) KDM4EALDH1A1KMT2AMEN1CYP1A2
SCHEMBL12758410 0.78 KDM4E (0.63) KDM4EALDH1A1KMT2AMEN1CYP1A2
SCHEMBL1026557 0.75 PIK3CB (0.67) KDM4EALDH1A1KMT2AMEN1HPGD
SCHEMBL29780606 0.75 PIK3CB (0.67) KDM4EALDH1A1KMT2AMEN1HPGD
SCHEMBL5381075 0.75 TP53 (0.65) KDM4EALDH1A1KMT2AMEN1CYP1A2

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-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 KDM4E 1362/4885ALDH1A1 584/4885KMT2A 2584/4885

“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.