SCHEMBL4391473

SCHEMBL4391473

Oc1ccc2cc(Br)ccc2c1C1NCCc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 6/20 0.45
PRCP P42785 4/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 2/20 0.41
RECQL P46063 1/20 0.40
DRD1 P21728 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAOA P21397 1/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38

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
SCHEMBL11948844 0.85 PRCP (0.46) KDM1APRCPGAARECQLMAOA
SCHEMBL4120535 0.84 PRCP (0.50) KDM1APRCPGAAMAPTRECQL
SCHEMBL4396321 0.82 GID4 (0.55) KDM1APRCPGAARECQLDRD1
SCHEMBL11948862 0.81 PRCP (0.47) KDM1APRCPGAAMAPTRECQL
SCHEMBL4397745 0.81 PRCP (0.42) KDM1APRCPGAAMAPTMEN1
SCHEMBL4390310 0.76 GID4 (0.56) KDM1APRCPGAARECQLDRD1
SCHEMBL11948856 0.75 PRCP (0.51) KDM1APRCPGAAMAPTRECQL
SCHEMBL4391481 0.72 PRCP (0.46) KDM1APRCPGAAMAPTRECQL
SCHEMBL11948857 0.72 PRCP (0.55) PRCPGAARECQLALDH1A1HSD17B10
SCHEMBL4388623 0.70 MAOA (0.48) PRCPGAAMAPTRECQLMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8232399-B2 Chiral ligands, their preparation and uses thereof in asymmetric reactions Li, Chao-Jun (CA) 2012-07-31 US disclosed
US-8232399-B2 Chiral ligands, their preparation and uses thereof in asymmetric reactions Li, Chao-Jun (CA) 2012-07-31 US disclosed
US-8232399-B2 Chiral ligands, their preparation and uses thereof in asymmetric reactions Li, Chao-Jun (CA) 2012-07-31 US disclosed
US-20090306390-A1 CHIRAL LIGANDS, THEIR PREPARATION AND USES THEREOF IN ASYMMETRIC REACTIONS CHAO-JUN LI (CA) 2009-12-10 US disclosed
WO-2007098608-A1 CHIRAL LIGANDS, THEIR PREPARATION AND USES THEREOF IN ASSYMETRIC REACTIONS LI CHAO-JUN (CA) 2007-09-07 WO 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-20090306390-A1 CHIRAL LIGANDS, THEIR PREPARATION AND USES THEREOF IN ASYMMETRIC REACTIONS OR10J3, C1R, C3AR1 KDM1A 4394/4885PRCP 2207/4885GAA 4878/4885

“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.