SCHEMBL5757516

SCHEMBL5757516

COc1ccc(Cc2ncc(-c3ccc(Cl)cc3Cl)[nH]2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 2/20 0.47
CNR1 P21554 3/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CCNB2 O95067 1/20 0.41
CCNE2 O96020 1/20 0.41
CDK1 P06493 1/20 0.41
CDK4 P11802 1/20 0.41
CCNB1 P14635 1/20 0.41
CCND1 P24385 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DPP4 P27487 3/20 0.39
CNR2 P34972 2/20 0.39
ALOX5 P09917 1/20 0.39
MAPT P10636 2/20 0.39

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
SCHEMBL5757230 0.87 CNR1 (0.42) CXCR2CNR1MEN1KMT2AALDH1A1
SCHEMBL5758338 0.82 ADORA2A (0.43) CXCR2CNR1MEN1KMT2AALDH1A1
SCHEMBL5758378 0.81 CNR1 (0.41) CNR1ALDH1A1DPP4CNR2MAPT
SCHEMBL5758538 0.79 MEN1 (0.41) CXCR2MEN1KMT2AALDH1A1MAPT
SCHEMBL5760901 0.78 SCN2A (0.44) MEN1KMT2ACCNB2CDK1CCNB1
SCHEMBL5757949 0.77 ADORA2A (0.48) MEN1KMT2ACCNB2CDK1CCNB1
SCHEMBL5757793 0.75 ALDH1A1 (0.45) CNR1MEN1KMT2AALDH1A1LMNA
Hydrochloric Acid SCHEMBL8126840 0.70 BRS3 (0.46) ALDH1A1LMNASMN1; SMN2
SCHEMBL17664012 0.69 SMN1; SMN2 (0.50) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL3288651 0.68 CXCR2 (0.45) CXCR2CNR1MEN1KMT2ADPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1194144-B1 ANTIBACTERIAL COMPOUNDS AFFINIUM PHARM INC (CA) 2006-11-02 EP claimed
US-20030149089-A1 Antibacterial compounds SMITHKLINE BEECHAM CORPORATION 2003-08-07 US claimed
EP-1194144-B1 ANTIBACTERIAL COMPOUNDS AFFINIUM PHARM INC (CA) 2006-11-02 EP 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-20030149089-A1 Antibacterial compounds MRPL21, MRPS28, SPOUT1 CXCR2 1212/4885CNR1 1387/4885MEN1 1673/4885

“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.