SCHEMBL22210593

SCHEMBL22210593

Cc1cc2[nH]c(C)c(C#N)c2cc1C#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.39
MAOB P27338 4/20 0.39
HAVCR2 Q8TDQ0 1/20 0.38
CXCR2 P25025 2/20 0.37
CSNK1D P48730 1/20 0.36
CSNK1G2 P78368 1/20 0.36
KDM4E B2RXH2 5/20 0.36
UPP1 Q16831 1/20 0.36
RECQL P46063 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 6/20 0.35
GAA P10253 4/20 0.35
APOBEC3G Q9HC16 3/20 0.35
RXFP1 Q9HBX9 1/20 0.35
TSHR P16473 1/20 0.32
MAPK10 P53779 1/20 0.32
RIPK1 Q13546 1/20 0.32
HPGD P15428 3/20 0.32
ALOX15 P16050 2/20 0.32
HSD17B10 Q99714 2/20 0.32

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
SCHEMBL20595037 0.84 MAOB (0.38) MAOAMAOBHAVCR2CXCR2CSNK1D
SCHEMBL22210584 0.82 MAOA (0.35) MAOAMAOBHAVCR2CXCR2CSNK1D
SCHEMBL24201852 0.72 HSD17B10 (0.47) KDM4EALDH1A1GAARXFP1HPGD
SCHEMBL10193365 0.72 KIF11 (0.48) MAOAMAOBKDM4EALDH1A1GAA
SCHEMBL20595104 0.70 KDM1A (0.51) MAOAMAOBCXCR2HPGDKDM1A
SCHEMBL119203 0.70 TSHR (0.50) HAVCR2CSNK1DCSNK1G2KDM4ETDP1
SCHEMBL5838273 0.69 ALOX5 (0.53) KDM4EUPP1TDP1ALDH1A1GAA
SCHEMBL22122287 0.69 METAP2 (0.38) MAOAMAOBHPGDMAPT
SCHEMBL20595036 0.68 CYP2A6 (0.40) HAVCR2CSNK1DCSNK1G2KDM4EALDH1A1
SCHEMBL19095344 0.68 CSNK2A1 (0.39) MAOAMAOBCSNK1DCSNK1G2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10711011-B2 Substituted oxazolidines as anti-bacterial agents Bugworks Research, Inc. (US) 2020-07-14 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-10711011-B2 Substituted oxazolidines as anti-bacterial agents ALPI, HLA-A, HLA-B MAOA 61/4885MAOB 83/4885HAVCR2 3445/4885

“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.