SCHEMBL5193879

SCHEMBL5193879

O=C(CCN1Cc2ccccc2NCC1=O)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.43
MAPK1 P28482 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
GLA P06280 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
ACHE P22303 2/20 0.38
PARP1 P09874 1/20 0.37
TMEM97 Q5BJF2 2/20 0.37
SIGMAR1 Q99720 2/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL14374083 0.88 MAPK1 (0.43) NOTUMMAPK1NPC1RAB9AGAA
SCHEMBL5195909 0.86 BRD4 (0.42) NOTUMGAASMN1; SMN2ITGB3ITGA2B
SCHEMBL5195087 0.80 TNF (0.47) NOTUMGAASMN1; SMN2KDM4EALOX15
SCHEMBL5193966 0.79 ACHE (0.47) RAB9AGAAL3MBTL1ALDH1A1TSHR
SCHEMBL8384325 0.76 GAA (0.44) NOTUMMAPK1NPC1RAB9AGAA
SCHEMBL14374089 0.76 KMT2A (0.43) MAPK1NPC1RAB9AGAASMN1; SMN2
SCHEMBL5193610 0.76 BRPF1 (0.44) MAPK1ITGB3ITGA2BKDM4EALOX15
SCHEMBL5191836 0.75 ITGB3 (0.52) RAB9ASMN1; SMN2ITGB3ITGA2BKDM4E
SCHEMBL5194276 0.74 LMNA (0.46) MAPK1SMN1; SMN2ITGB3ITGA2BALDH1A1
SCHEMBL5191281 0.73 BRPF1 (0.47) MAPK1ITGB3ITGA2BALDH1A1ALOX15

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-20070232594-A1 Aromatic amide derivatives, medicinal compositions containing the same, medical uses of both KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-10-04 US disclosed
EP-1813603-A1 AROMATIC AMIDE DERIVATIVES, MEDICINAL COMPOSITIONS CONTAINING THE SAME, MEDICAL USES OF BOTH Kissei Pharmaceutical Co., Ltd. (JP) 2007-08-01 EP 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-20070232594-A1 Aromatic amide derivatives, medicinal compositions containing the same, medical uses of both AVPR2, AVPR1A, AVPR1B NOTUM 2495/4885MAPK1 1850/4885NPC1 2010/4885

“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.