SCHEMBL5169742

SCHEMBL5169742

O=C(CCl)C(Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
GLA P06280 1/20 0.46
PAX8 Q06710 1/20 0.46
HPGD P15428 1/20 0.44
NCOA1 Q15788 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
CYP1A2 P05177 1/20 0.43
CTSG P08311 1/20 0.43
CMA1 P23946 1/20 0.43
ALPI P09923 1/20 0.41
PKM P14618 1/20 0.41
PTGS1 P23219 1/20 0.41
XIAP P98170 1/20 0.41
SLC7A5 Q01650 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40

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
SCHEMBL5170328 1.00 ALDH1A1 (0.46) ALDH1A1HTTSMN1; SMN2NPC1RAB9A
SCHEMBL5169748 1.00 ALDH1A1 (0.46) ALDH1A1HTTSMN1; SMN2NPC1RAB9A
SCHEMBL6950290 0.85 ALDH1A1 (0.45) ALDH1A1HTTSMN1; SMN2NPC1RAB9A
SCHEMBL6947458 0.85 ALDH1A1 (0.45) ALDH1A1HTTSMN1; SMN2NPC1RAB9A
SCHEMBL8603114 0.83 HPGD (0.47) ALDH1A1HTTSMN1; SMN2NPC1RAB9A
SCHEMBL27686290 0.83 CPA1 (0.45) ALDH1A1NPC1RAB9AHPGDCYP1A2
SCHEMBL6330627 0.83 CPA1 (0.45) ALDH1A1NPC1RAB9AHPGDCYP1A2
SCHEMBL6946975 0.83 HPGD (0.47) ALDH1A1HTTSMN1; SMN2NPC1RAB9A
SCHEMBL6950840 0.83 HPGD (0.47) ALDH1A1HTTSMN1; SMN2NPC1RAB9A
SCHEMBL8202673 0.82 CYP1A2 (0.53) HPGDCYP1A2ALPIPKMPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070129443-A1 Production method of aminochlorohydrin sulfate AJINOMOTO CO., INC. (JP) 2007-06-07 US claimed
EP-1777213-A1 Production method of aminochlorohydrin sulfate Ajinomoto Co., Inc. (JP) 2007-04-25 EP claimed
US-20070129443-A1 Production method of aminochlorohydrin sulfate AJINOMOTO CO., INC. (JP) 2007-06-07 US disclosed
US-20070129443-A1 Production method of aminochlorohydrin sulfate AJINOMOTO CO., INC. (JP) 2007-06-07 US disclosed
US-20070129443-A1 Production method of aminochlorohydrin sulfate AJINOMOTO CO., INC. (JP) 2007-06-07 US disclosed
EP-1777213-A1 Production method of aminochlorohydrin sulfate Ajinomoto Co., Inc. (JP) 2007-04-25 EP disclosed
EP-1777213-A1 Production method of aminochlorohydrin sulfate Ajinomoto Co., Inc. (JP) 2007-04-25 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-20070129443-A1 Production method of aminochlorohydrin sulfate TST, ALDH7A1, HACL2 ALDH1A1 394/4885HTT 287/4885SMN1; SMN2 4520/4885

“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.