SCHEMBL8090952

SCHEMBL8090952

C[C@H](NCC(O)CN[C@@H](C)c1ccccc1)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 1/20 0.65
KMT2A Q03164 8/20 0.60
MEN1 O00255 7/20 0.60
NPSR1 Q6W5P4 3/20 0.60
RAB9A P51151 2/20 0.60
NPC1 O15118 1/20 0.60
KDM4E B2RXH2 1/20 0.60
ANPEP P15144 1/20 0.57
BCHE P06276 1/20 0.55
CYP3A4 P08684 2/20 0.55
LMNA P02545 2/20 0.55
CHRM2 P08172 1/20 0.55
HTR1A P08908 1/20 0.55
ADRA2A P08913 1/20 0.55
ADORA3 P0DMS8 1/20 0.55
CHRM1 P11229 1/20 0.55
SMPD1 P17405 1/20 0.55
DRD1 P21728 1/20 0.55
TBXA2R P21731 1/20 0.55
SLC6A2 P23975 1/20 0.55

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
SCHEMBL8090949 1.00 APAF1 (0.65) APAF1KMT2AMEN1NPSR1RAB9A
Hydrochloric Acid SCHEMBL15792795 0.98 KMT2A (0.63) APAF1KMT2AMEN1NPSR1RAB9A
Hydrochloric Acid SCHEMBL15792793 0.98 KMT2A (0.63) APAF1KMT2AMEN1NPSR1RAB9A
SCHEMBL2915346 0.89 APAF1 (0.57) APAF1KMT2AMEN1NPSR1RAB9A
SCHEMBL2915347 0.89 APAF1 (0.57) APAF1KMT2AMEN1NPSR1RAB9A
SCHEMBL2921106 0.89 APAF1 (0.57) APAF1KMT2AMEN1NPSR1RAB9A
SCHEMBL30285806 0.88 APAF1 (0.65) APAF1KMT2AMEN1NPSR1RAB9A
SCHEMBL10879125 0.86 APAF1 (0.62) APAF1KMT2AMEN1NPSR1RAB9A
SCHEMBL14943968 0.86 APAF1 (0.62) APAF1KMT2AMEN1NPSR1RAB9A
Hydrochloric Acid SCHEMBL10624582 0.86 APAF1 (0.62) APAF1KMT2AMEN1NPSR1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998007653-A1 CHIRAL HYDRIDE COMPLEXES ZEELAND CHEMICALS, INC. (US) 1998-02-26 WO claimed
US-9012631-B2 1,3-oxazolidine-2-one-like compound, preparation method and uses thereof YABANG PHARMACEUTICAL CO., LTD (CN) 2015-04-21 US disclosed
US-20140171640-A1 1,3-OXAZOLIDINE-2-ONE-LIKE COMPOUND, PREPARATION METHOD AND USES THEREOF YABANG PHARMACEUTICAL CO., LTD (CN) 2014-06-19 US disclosed
WO-2012155042-A2 NOVEL BORATE DERIVATIVES AND THEIR APPLICATIONS ANDERSON DEVELOPMENT COMPANY (US) 2012-11-15 WO disclosed
US-20120289733-A1 NOVEL BORATE DERIVATIVES AND THEIR APPLICATIONS ANDERSON DEVELOPMENT COMPANY (US) 2012-11-15 US disclosed
US-6090950-A Chiral hydride complexes ZEELAND CHEMICALS, INC. (US) 2000-07-18 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 (2 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-20120289733-A1 NOVEL BORATE DERIVATIVES AND THEIR APPLICATIONS BRS3, BRSK1, CA4 APAF1 2999/4885KMT2A 2803/4885MEN1 58/4885
US-20140171640-A1 1,3-OXAZOLIDINE-2-ONE-LIKE COMPOUND, PREPARATION METHOD AND USES THEREOF OXA1L, CYP2C9, CYP1B1 APAF1 3626/4885KMT2A 2938/4885MEN1 2805/4885

“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.