SCHEMBL914542

SCHEMBL914542

O=c1oc(-c2cccnc2Cl)nc2cccc([N+](=O)[O-])c12

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
C1R P00736 2/20 0.53
MEN1 O00255 1/20 0.53
F2 P00734 1/20 0.53
MAPT P10636 1/20 0.53
KMT2A Q03164 1/20 0.53
ELANE P08246 15/20 0.51
KLK3 P07288 1/20 0.51
PDE10A Q9Y233 1/20 0.44
POLB P06746 1/20 0.43

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
SCHEMBL912480 0.84 KMT2A (0.73) C1RMEN1F2MAPTKMT2A
SCHEMBL913650 0.81 ELANE (0.77) C1RELANE
SCHEMBL913988 0.79 C1R (0.55) C1RMEN1F2MAPTKMT2A
SCHEMBL914707 0.77 ELANE (0.67) C1RMEN1F2MAPTKMT2A
SCHEMBL17770598 0.76 MEN1 (0.58) C1RMEN1F2MAPTKMT2A
SCHEMBL31489848 0.76 MEN1 (0.58) C1RMEN1F2MAPTKMT2A
SCHEMBL914529 0.76 APEX1 (0.65) C1RMEN1F2MAPTKMT2A
SCHEMBL914145 0.74 F7 (0.59) C1RMEN1F2MAPTKMT2A
SCHEMBL914260 0.74 KLK3 (0.54) C1RMEN1F2MAPTKMT2A
SCHEMBL914648 0.73 MEN1 (0.48) C1RMEN1F2MAPTKMT2A

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-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 C1R 202/4885MEN1 1609/4885F2 485/4885

“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.