SCHEMBL6140213

SCHEMBL6140213

COc1cccc(NC(=O)c2ccc(N3CCC(N)CC3)nc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.62
HPGD P15428 1/20 0.62
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.53
LMNA P02545 1/20 0.53
MAPK1 P28482 1/20 0.53
HTT P42858 1/20 0.53
HSD17B10 Q99714 1/20 0.53
TP53 P04637 2/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
ALDH1A1 P00352 1/20 0.53
PKM P14618 1/20 0.53
TSHR P16473 2/20 0.53
ADORA3 P0DMS8 1/20 0.52
TAAR1 Q96RJ0 1/20 0.52
DGAT1 O75907 4/20 0.51
RXFP1 Q9HBX9 1/20 0.51
HDAC10 Q969S8 1/20 0.51

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
SCHEMBL2302759 0.83 KDM4E (0.61) KDM4EHPGDKMT2ASMN1; SMN2LMNA
SCHEMBL3794388 0.80 KDM4E (0.60) KDM4EHPGDKMT2ASMN1; SMN2LMNA
SCHEMBL18555777 0.77 RAB9A (0.64) KMT2ASMN1; SMN2LMNAMAPK1NPC1
SCHEMBL13210546 0.77 ALDH1A1 (0.70) KDM4EHPGDKMT2AMEN1SMN1; SMN2
SCHEMBL13930600 0.76 SMO (0.58) KDM4EHPGDKMT2AMEN1SMN1; SMN2
SCHEMBL13930689 0.76 MAPT (0.70) KDM4EHPGDKMT2AMEN1SMN1; SMN2
SCHEMBL2358142 0.75 ADORA3 (0.52) KDM4EHPGDKMT2AMEN1ALDH1A1
SCHEMBL2302615 0.75 ADORA3 (0.52) KDM4EHPGDKMT2AMEN1TP53
SCHEMBL14502187 0.75 KCNH2 (0.54) KMT2AMEN1NPC1RAB9ADGAT1
SCHEMBL2055269 0.75 RAB9A (0.67) KDM4EHPGDKMT2ASMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6852736-B2 Phenoxypropanolamines, preparation and therapeutic use thereof SANOFI-SYNTHELABO (FR) 2005-02-08 US disclosed
EP-1242404-B1 PHENOXYPROPANOLAMINES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI SYNTHELABO (FR) 2004-07-07 EP disclosed
US-20030105135-A1 Phenoxypropanolamines, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2003-06-05 US 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-20030105135-A1 Phenoxypropanolamines, preparation and therapeutic use thereof CNR1, ADRB3, ADRB1 KDM4E 1468/4885HPGD 2286/4885KMT2A 1643/4885

“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.