SCHEMBL913508

SCHEMBL913508

COC(=O)c1cccc2nc(-c3cccs3)oc(=O)c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
KMT2A Q03164 6/20 0.53
MEN1 O00255 5/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
HPGD P15428 4/20 0.53
F2 P00734 1/20 0.53
HSD17B10 Q99714 4/20 0.52
MAPK1 P28482 1/20 0.52
KDM4E B2RXH2 7/20 0.50
MAPT P10636 3/20 0.50
GAA P10253 1/20 0.50
CASP1 P29466 2/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
TP53 P04637 2/20 0.44
ATM Q13315 1/20 0.44
PDE4C Q08493 1/20 0.43
CASP7 P55210 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
SCHEMBL8070396 0.81 HSD17B10 (0.66) ALDH1A1KMT2AMEN1SMN1; SMN2HPGD
SCHEMBL8068715 0.79 ALDH1A1 (0.62) ALDH1A1KMT2AMEN1SMN1; SMN2HPGD
SCHEMBL914985 0.79 F7 (0.46) ALDH1A1KMT2ASMN1; SMN2HPGDHSD17B10
SCHEMBL914363 0.78 KDM4E (0.52) ALDH1A1KMT2AMEN1SMN1; SMN2HPGD
SCHEMBL916008 0.77 ELANE (0.61) ALDH1A1KMT2AMEN1SMN1; SMN2HPGD
SCHEMBL8075316 0.76 ELANE (0.62) ALDH1A1KMT2AMEN1SMN1; SMN2HPGD
SCHEMBL8068698 0.76 ALDH1A1 (0.62) ALDH1A1KMT2AMEN1SMN1; SMN2HPGD
SCHEMBL914373 0.73 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1SMN1; SMN2HPGD
SCHEMBL17929370 0.73 TOP2A (0.69) ALDH1A1KMT2AMEN1SMN1; SMN2HPGD
SCHEMBL6344884 0.72 ELANE (0.44) ALDH1A1KMT2AHPGDKDM4EMAPT

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-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

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 ALDH1A1 584/4885KMT2A 2584/4885MEN1 1609/4885

“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.