SCHEMBL2358985

SCHEMBL2358985

CCN(CCn1c(-c2ccc(F)cc2)ccc(NC(=O)C(C)NC)c1=O)Cc1ccc(F)cc1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ELANE P08246 12/20 0.35
MCHR1 Q99705 2/20 0.35
CTRC Q99895 2/20 0.35
MAOB P27338 1/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ACKR3 P25106 1/20 0.34

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
SCHEMBL2358982 1.00 ELANE (0.35) ELANEMCHR1CTRCMAOBKDM4E
SCHEMBL2321922 0.84 TSPO (0.47) ELANECTRC
SCHEMBL2321927 0.84 TSPO (0.47) ELANECTRC
SCHEMBL4770663 0.84 MCHR1 (0.35) MCHR1MAOBKDM4EALDH1A1ACKR3
SCHEMBL3846277 0.78 ELANE (0.50) ELANECTRCKDM4EALDH1A1
SCHEMBL3846281 0.78 ELANE (0.50) ELANECTRCKDM4EALDH1A1
SCHEMBL2319617 0.76 XIAP (0.46)
SCHEMBL2319611 0.76 XIAP (0.46)
SCHEMBL2319607 0.76 XIAP (0.46)
SCHEMBL2358520 0.76 ELANE (0.42) ELANECTRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989441-B2 Organic compounds NOVARTIS AG (CH) 2011-08-02 US claimed
US-20090069294-A1 Organic Compounds NOVARTIS AG (CH) 2009-03-12 US claimed
CN-101193908-A Organic compounds NOVARTIS AG (CH) 2008-06-04 CN claimed

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-20090069294-A1 Organic Compounds XIAP, BAX, MCL1 ELANE 2303/4885MCHR1 4857/4885CTRC 4666/4885

“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.