SCHEMBL6355111

SCHEMBL6355111

O=C(NCc1ccc(OCc2ccccc2)cc1Cl)c1cccc(Cl)c1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
NPC1 O15118 4/20 0.57
RAB9A P51151 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
S1PR1 P21453 1/20 0.54
PRKX P51817 1/20 0.54
ACVR1 Q04771 1/20 0.54
S1PR5 Q9H228 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.51
MAPK8 P45983 2/20 0.49
POLB P06746 1/20 0.49
ALOX12 P18054 1/20 0.49
HTT P42858 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL6354409 0.83 NPC1 (0.56) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL15876088 0.83 S1PR1 (0.60) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL6357846 0.83 SGMS2 (0.61) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL6355280 0.82 LMNA (0.55) ALDH1A1SMN1; SMN2KMT2AMAPK8HTT
SCHEMBL6356674 0.81 KMT2A (0.57) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL6356702 0.80 MAPK8 (0.57) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL6356922 0.80 LMNA (0.57) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL6355643 0.80 HPGD (0.54) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL6355252 0.78 SGMS2 (0.61) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL6356112 0.78 TSHR (0.58) ALDH1A1NPC1RAB9AMEN1KMT2A

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 ALDH1A1 1194/4885NPC1 719/4885RAB9A 2578/4885

“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.