SCHEMBL6355276

SCHEMBL6355276

O=C(NCc1cc(Cl)ccc1OCc1ccccc1)c1cc(Cl)ccc1Cl

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.63
NPC1 O15118 1/20 0.56
ALDH1A1 P00352 1/20 0.56
TP53 P04637 1/20 0.56
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
PTGER1 P34995 11/20 0.55
SGMS2 Q8NHU3 1/20 0.53
STAT3 P40763 1/20 0.52
AKR1C3 P42330 1/20 0.52
LMNA P02545 1/20 0.51
HPGD P15428 1/20 0.51
LRRK2 Q5S007 1/20 0.51
MRGPRX4 Q96LA9 1/20 0.50

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
SCHEMBL6360998 0.93 KMT2A (0.60) KMT2ANPC1ALDH1A1TP53RAB9A
SCHEMBL6356805 0.91 KMT2A (0.60) KMT2ANPC1ALDH1A1TP53RAB9A
SCHEMBL6356674 0.88 KMT2A (0.57) KMT2ANPC1ALDH1A1TP53RAB9A
SCHEMBL6362768 0.87 NPC1 (0.63) KMT2ANPC1ALDH1A1TP53RAB9A
SCHEMBL6358715 0.86 PTGER1 (0.58) KMT2APTGER1SGMS2AKR1C3HPGD
SCHEMBL6360924 0.86 NPC1 (0.56) KMT2ANPC1ALDH1A1TP53RAB9A
SCHEMBL6354467 0.86 PTGER1 (0.55) KMT2ANPC1ALDH1A1TP53RAB9A
SCHEMBL6355187 0.86 PTGER1 (0.59) KMT2ANPC1ALDH1A1TP53RAB9A
SCHEMBL6363241 0.84 NPC1 (0.65) KMT2ANPC1ALDH1A1TP53RAB9A
SCHEMBL6361721 0.84 PTGER1 (0.58) KMT2APTGER1SGMS2AKR1C3

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-20050009812-A1 Remedies for stress diseases comprising mitochondrial benzodiazepine receptor antagonists ONO PHARMACEUTICAL CO., LTD. (JP) 2005-01-13 US claimed
EP-1438973-A1 REMEDIES FOR STRESS DISEASES COMPRISING MITOCHONDRIAL BENZODIAZEPINE RECEPTOR ANTAGONISTS ONO PHARMACEUTICAL CO., LTD. (JP) 2004-07-21 EP claimed
US-20050009812-A1 Remedies for stress diseases comprising mitochondrial benzodiazepine receptor antagonists ONO PHARMACEUTICAL CO., LTD. (JP) 2005-01-13 US disclosed
EP-1438973-A1 REMEDIES FOR STRESS DISEASES COMPRISING MITOCHONDRIAL BENZODIAZEPINE RECEPTOR ANTAGONISTS ONO PHARMACEUTICAL CO., LTD. (JP) 2004-07-21 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-20050009812-A1 Remedies for stress diseases comprising mitochondrial benzodiazepine receptor antagonists TFAM, CYP11B2, CYP11B1 KMT2A 1711/4885NPC1 719/4885ALDH1A1 1194/4885

“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.