SCHEMBL7250485

SCHEMBL7250485

Nc1cc(C(=O)CN(CCOc2ccc3c(c2)[nH]c2ccccc23)Cc2ccccc2)ccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.42
HCRTR2 O43614 7/20 0.41
CTSV O60911 1/20 0.41
CTSL P07711 1/20 0.41
HPGD P15428 1/20 0.40
PPARG P37231 1/20 0.40
MCL1 Q07820 2/20 0.39
BCL2 P10415 1/20 0.39
PDPK1 O15530 1/20 0.39
MAOB P27338 1/20 0.38
DRD4 P21917 1/20 0.38
KIT P10721 1/20 0.36
FLT3 P36888 1/20 0.36
IMPDH2 P12268 1/20 0.35
KIF11 P52732 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL7241933 0.90 HCRTR2 (0.42) ATMHCRTR2CTSVCTSLPDPK1
SCHEMBL7250691 0.88 CTSV (0.46) HCRTR2CTSVCTSLPDPK1MAOB
SCHEMBL7246577 0.87 HCRTR2 (0.43) ATMHCRTR2CTSVCTSLPDPK1
SCHEMBL7245164 0.87 SMN1; SMN2 (0.40) ATMHCRTR2CTSVCTSLHPGD
SCHEMBL7252220 0.86 ACHE (0.39) ATMHCRTR2HPGDPPARGMAOB
SCHEMBL7252250 0.85 MCL1 (0.39) ATMCTSVCTSLHPGDMCL1
SCHEMBL7250639 0.85 ATM (0.40) ATMHCRTR2CTSVCTSLPPARG
SCHEMBL7244024 0.84 BCHE (0.47) ATMHCRTR2
SCHEMBL7249414 0.84 ATM (0.42) ATMHCRTR2HPGDPPARGMAOB
Hydrochloric Acid SCHEMBL7246775 0.84 ATM (0.40) ATMHCRTR2CTSVCTSLPPARG

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 ATM 4240/4885HCRTR2 190/4885CTSV 4705/4885

“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.