SCHEMBL7423807

SCHEMBL7423807

O=C(OCc1ccccc1)N1C[C@@H](O)Cc2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.64
RAB9A P51151 3/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
SMN1; SMN2 Q16637 3/20 0.49
GAA P10253 1/20 0.49
MAPK1 P28482 1/20 0.49
NOTUM Q6P988 1/20 0.48
P2RX4 Q99571 2/20 0.47
P2RX1 P51575 1/20 0.46
P2RX3 P56373 1/20 0.46
TMEM97 Q5BJF2 2/20 0.45
SIGMAR1 Q99720 2/20 0.45
HTR2C P28335 1/20 0.44
CTRB1 P17538 1/20 0.44
CACNA1G O43497 1/20 0.44
CACNA1H O95180 1/20 0.44
CACNA1I Q9P0X4 1/20 0.44
CYP2C19 P33261 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL7423800 1.00 NPC1 (0.64) NPC1RAB9AL3MBTL1SMN1; SMN2GAA
SCHEMBL24325183 0.87 NPC1 (0.68) NPC1RAB9AL3MBTL1SMN1; SMN2GAA
SCHEMBL8566008 0.86 NPC1 (0.62) NPC1RAB9AL3MBTL1SMN1; SMN2GAA
SCHEMBL17619538 0.86 NPC1 (0.62) NPC1RAB9AL3MBTL1SMN1; SMN2GAA
SCHEMBL7424161 0.86 NPC1 (0.62) NPC1RAB9AL3MBTL1SMN1; SMN2GAA
SCHEMBL8560198 0.86 NPC1 (0.62) NPC1RAB9AL3MBTL1SMN1; SMN2GAA
SCHEMBL7422992 0.85 NPC1 (0.61) NPC1RAB9AL3MBTL1SMN1; SMN2GAA
SCHEMBL8566435 0.85 NPC1 (0.61) NPC1RAB9AL3MBTL1SMN1; SMN2GAA
SCHEMBL7422983 0.85 NPC1 (0.61) NPC1RAB9AL3MBTL1SMN1; SMN2GAA
SCHEMBL8566501 0.84 NPC1 (0.60) NPC1RAB9AL3MBTL1SMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170291890-A1 HETEROCYCLE SUBSTITUTED AMINO-PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF Epizyme, Inc. 2017-10-12 US disclosed
US-20170291890-A1 HETEROCYCLE SUBSTITUTED AMINO-PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF Epizyme, Inc. 2017-10-12 US disclosed
EP-0815103-A1 TRYPSIN AND THROMBIN INHIBITORS Novartis AG (CH) 1998-01-07 EP disclosed
WO-1996029327-A1 TRYPSIN AND THROMBIN INHIBITORS NOVARTIS AG (CH) 1996-09-26 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-20170291890-A1 HETEROCYCLE SUBSTITUTED AMINO-PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF HCCS, TP53, NME2 NPC1 2481/4885RAB9A 1803/4885L3MBTL1 4229/4885

“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.