SCHEMBL9964899

SCHEMBL9964899

O=C[C@@H]1Cc2ccccc2N1C(=O)OCc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
P2RX4 Q99571 2/20 0.47
P2RX1 P51575 1/20 0.46
P2RX3 P56373 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
TMEM97 Q5BJF2 2/20 0.45
SIGMAR1 Q99720 2/20 0.45
HTR2C P28335 1/20 0.44
CTRB1 P17538 1/20 0.44
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 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
SCHEMBL1000224 0.83 NPC1 (0.54) NPC1RAB9AL3MBTL1
SCHEMBL24582713 0.83 NPC1 (0.54) NPC1RAB9AL3MBTL1
SCHEMBL27575924 0.83 NOTUM (0.58) NPC1RAB9AL3MBTL1SMN1; SMN2HTR2C
SCHEMBL3208272 0.83 NPC1 (0.54) NPC1RAB9AL3MBTL1
SCHEMBL5763420 0.82 NPC1 (0.53) NPC1RAB9AL3MBTL1P2RX4P2RX1
SCHEMBL10646920 0.81 NPC1 (0.52) NPC1RAB9AL3MBTL1P2RX4P2RX1
SCHEMBL27589256 0.81 NPC1 (0.52) NPC1RAB9AL3MBTL1P2RX4P2RX1
SCHEMBL7475934 0.81 NPC1 (0.52) NPC1RAB9AL3MBTL1P2RX4P2RX1
SCHEMBL8634979 0.80 PREP (0.48) NPC1RAB9AL3MBTL1TMEM97SIGMAR1
SCHEMBL7482325 0.80 NPSR1 (0.53) NPC1RAB9AL3MBTL1SMN1; SMN2HTR2C

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
US-20120157434-A1 Antimicrobial heterocyclic compounds for treatment of bacterial infections CSO of MicuRx Pharmaceuticals, Inc. 2012-06-21 US disclosed
US-20120157434-A1 Antimicrobial heterocyclic compounds for treatment of bacterial infections CSO of MicuRx Pharmaceuticals, Inc. 2012-06-21 US disclosed
US-20100069441-A1 ANTIMICROBIAL INDOLINE COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS GORDEEV MIKHAIL FEDOROVICH 2010-03-18 US disclosed
US-20100069441-A1 ANTIMICROBIAL INDOLINE COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS GORDEEV MIKHAIL FEDOROVICH 2010-03-18 US disclosed
US-7667044-B2 treating nervous system diorders such as Alzheimer's disease, Down Syndrome, Parkinson disease and Huntington chorea by administering inhibitors of prolyl endopeptidases PROBIODRUG AG (DE) 2010-02-23 US disclosed
WO-2008108988-A1 ANTIMICROBIAL HETEROCYCLIC COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS MICURX PHARMACEUTICALS, INC. (US) 2008-09-12 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 (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-20100069441-A1 ANTIMICROBIAL INDOLINE COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS IDO1, IDO2, INMT NPC1 1168/4885RAB9A 1349/4885L3MBTL1 3059/4885
US-20120157434-A1 Antimicrobial heterocyclic compounds for treatment of bacterial infections NISCH, NOD1, NQO1 NPC1 515/4885RAB9A 1343/4885L3MBTL1 3076/4885

“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.