SCHEMBL7243308

SCHEMBL7243308

O=C(CN(CCOc1ccc2c(c1)[nH]c1ccccc12)Cc1ccccc1)c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSV O60911 5/20 0.43
CTSL P07711 5/20 0.43
HCRTR2 O43614 6/20 0.42
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ABCB1 P08183 1/20 0.41
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
MAOB P27338 1/20 0.37
POLB P06746 1/20 0.37
KIT P10721 1/20 0.37
FLT3 P36888 1/20 0.37

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
SCHEMBL7248143 0.90 HCRTR2 (0.40) CTSVCTSLHCRTR2MEN1KMT2A
SCHEMBL7245164 0.89 SMN1; SMN2 (0.40) CTSVCTSLHCRTR2MAPTMEN1
SCHEMBL7243329 0.88 CTSV (0.43) CTSVCTSLMAPTMEN1KMT2A
SCHEMBL7245109 0.88 MCHR1 (0.39) CTSVCTSLHCRTR2MAPTMEN1
SCHEMBL7250691 0.87 CTSV (0.46) CTSVCTSLHCRTR2MEN1KMT2A
SCHEMBL7251107 0.86 HCRTR2 (0.44) HCRTR2MAPTMEN1KMT2AABCB1
SCHEMBL7242898 0.86 ABCB1 (0.42) CTSVCTSLHCRTR2MAPTMEN1
SCHEMBL7250081 0.85 CTSV (0.47) CTSVCTSLHCRTR2MAPTMEN1
SCHEMBL6742105 0.84 CTSV (0.43) CTSVCTSLHCRTR2MAPTMEN1
SCHEMBL6742341 0.84 CTSV (0.43) CTSVCTSLHCRTR2MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030045727-A1 Process for preparing optically active secondary alcohols having nitrogenous or oxygenic functional groups ASAHI KASEI KABUSHIKI KAISHA (JP) 2003-03-06 US disclosed
EP-1254885-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE SECONDARY ALCOHOLS HAVING NITROGENOUS OR OXYGENIC FUNCTIONAL GROUPS Asahi Kasei Kabushiki Kaisha (JP) 2002-11-06 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-20030045727-A1 Process for preparing optically active secondary alcohols having nitrogenous or oxygenic functional groups ADH1A, ADH5, ADH1C CTSV 4705/4885CTSL 4734/4885HCRTR2 190/4885

“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.