SCHEMBL6801299

SCHEMBL6801299

O=C(O)c1nccn1Cc1ccc2ccccc2c1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CYP19A1 P11511 1/20 0.47
ADRB1 P08588 1/20 0.46
ADRB3 P13945 1/20 0.46
TBXAS1 P24557 1/20 0.44
KMT2A Q03164 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
MCHR1 Q99705 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
FAAH O00519 1/20 0.41

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
SCHEMBL418384 0.84 RAB9A (0.57) RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL7366919 0.80 CYP19A1 (0.44) SMN1; SMN2CYP19A1ADRB1ADRB3KMT2A
SCHEMBL27760547 0.80 CYP19A1 (0.51) CYP19A1ADRB1ADRB3KMT2ACYP1A2
SCHEMBL28710549 0.79 RAB9A (0.47) RAB9ANPC1SMN1; SMN2
SCHEMBL29506741 0.79 RAB9A (0.50) RAB9ANPC1SMN1; SMN2SIGMAR1
SCHEMBL5051459 0.79 RAB9A (0.50) RAB9ANPC1SMN1; SMN2SIGMAR1
SCHEMBL29506739 0.79 RAB9A (0.47) RAB9ANPC1SMN1; SMN2
SCHEMBL6800143 0.79 OPRD1 (0.43) RAB9ANPC1SMN1; SMN2ADRB1ADRB3
SCHEMBL28309035 0.78 KLKB1 (0.49) RAB9ANPC1SMN1; SMN2FAAH
SCHEMBL12803743 0.78 SMN1; SMN2 (0.51) RAB9ANPC1SMN1; SMN2KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040097508-A1 Novel heterocyclically substituted amides, their preparation and use ABBOTT GMBH & CO. KG (DE) 2004-05-20 US disclosed
US-6630493-B1 Inhibitors of capain enzymes useful for the treatment of ischemias of the heart, the kidney or of central nervous system (e.g. \"stroke\"), inflammations, muscular dystrophy, cataracts of the eyes, Alzheimer's disease etc. BASF AKTIENGESELLSCHAFT (DE) 2003-10-07 US disclosed
CN-1301255-A Heterocyclically substituted amides, their production and their use BASF AG (DE) 2001-06-27 CN disclosed
EP-1073638-A1 HETEROCYCLICALLY SUBSTITUTED AMIDES, THEIR PRODUCTION AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 2001-02-07 EP disclosed
WO-1999054304-A1 HETEROCYCLICALLY SUBSTITUTED AMIDES, THEIR PRODUCTION AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1999-10-28 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-20040097508-A1 Novel heterocyclically substituted amides, their preparation and use CAPN1, CAPNS1, CAPN2 RAB9A 2537/4885NPC1 1797/4885SMN1; SMN2 139/4885

“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.