SCHEMBL5499258

SCHEMBL5499258

CC(=O)N(O)NCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.45
CYP2C9 P11712 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
PTPN1 P18031 1/20 0.44
THRB P10828 1/20 0.43
IDO1 P14902 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
GAA P10253 1/20 0.43
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 2/20 0.42
RIPK1 Q13546 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL34467582 0.76 CYP2C9 (0.42) HPGDCYP2C9SMN1; SMN2PTPN1NPC1
SCHEMBL28034055 0.76 LMNA (0.49) SMN1; SMN2THRBIDO1NPC1RAB9A
SCHEMBL16735543 0.75 IDO1 (0.50) HPGDTHRBIDO1NPC1RAB9A
SCHEMBL3085177 0.74 NPC1 (0.48) CYP2C9THRBIDO1NPC1RAB9A
SCHEMBL4556797 0.73 RIPK1 (0.42) CYP2C9SMN1; SMN2THRBIDO1NPC1
Acetic Acid SCHEMBL10842577 0.73 HDAC8 (0.60) CYP2C9SMN1; SMN2THRBIDO1KMT2A
SCHEMBL24501680 0.72 IDO1 (0.46) HPGDSMN1; SMN2THRBIDO1GAA
Acetone SCHEMBL8184954 0.71 HDAC8 (0.58) CYP2C9SMN1; SMN2PTPN1THRBIDO1
N-Benzylmethylamine SCHEMBL432493 0.71 MAPT (0.74) CYP2C9SMN1; SMN2PTPN1THRBIDO1
SCHEMBL97001 0.71 KMT2A (0.68) HPGDCYP2C9SMN1; SMN2PTPN1RAB9A

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-9090658-B2 Base-substituted benzylamine analogs for use as coagulation factor Xa inhibitors, the production and use thereof THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2015-07-28 US disclosed
US-20070066539-A1 Base-substituted benzylamine analogs for use as coagulation factor xa inhibitors, the production and use thereof THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2007-03-22 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-20070066539-A1 Base-substituted benzylamine analogs for use as coagulation factor xa inhibitors, the production and use thereof F12, F2, F11 HPGD 1163/4885CYP2C9 103/4885SMN1; SMN2 2702/4885

“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.