SCHEMBL9892817

SCHEMBL9892817

CCC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 10/20 0.71
▸ KMT2A Q03164 10/20 0.71
▸ RAB9A P51151 5/20 0.69
▸ NPC1 O15118 2/20 0.67
▸ ALDH1A1 P00352 2/20 0.64
▸ MAPT P10636 2/20 0.64
▸ LMNA P02545 1/20 0.64
▸ NFKB1 P19838 1/20 0.64
▸ NFKB2 Q00653 1/20 0.64
▸ RELA Q04206 1/20 0.64
▸ SMN1; SMN2 Q16637 1/20 0.64
▸ WNT3A P56704 1/20 0.64
▸ PSMD14 O00487 1/20 0.61
▸ ABL1 P00519 2/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ HDAC1 Q13547 1/20 0.58
▸ HDAC6 Q9UBN7 1/20 0.58
▸ HDAC9 Q9UKV0 1/20 0.58

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
SCHEMBL28579111 0.88 MAPT (0.59) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL14085826 0.85 KMT2A (0.74) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL16254980 0.85 ABL1 (0.79) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL21505853 0.83 RAB9A (0.58) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL14085829 0.83 MAPT (0.75) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL24026399 0.82 RAB9A (0.74) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL9891517 0.82 RAB9A (0.64) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL14085825 0.81 HDAC1 (0.67) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL8402291 0.80 MAPT (0.73) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL22500616 0.80 GSTO1 (0.66) MEN1KMT2ARAB9ANPC1ALDH1A1

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-8383615-B2 Azetidine 2-carboxamide derivatives which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-26 — — US disclosed
US-20120142666-A1 Azetidine 2-Carboxamide Derivatives Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 — — 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-20120142666-A1 Azetidine 2-Carboxamide Derivatives Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 MEN1 4667/4885KMT2A 1863/4885RAB9A 1317/4885

“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.

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