SCHEMBL16079488

SCHEMBL16079488

Cn1c(=O)c2c(nc(SCC#N)n2Cc2cccc(Br)c2)n(C)c1=O

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.62
MAOA P21397 2/20 0.62
ALDH1A1 P00352 5/20 0.59
LMNA P02545 3/20 0.59
GAA P10253 2/20 0.59
TSHR P16473 3/20 0.58
KMT2A Q03164 1/20 0.58
MAPT P10636 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
MAPK1 P28482 2/20 0.56
POLB P06746 1/20 0.56
ADORA2A P29274 2/20 0.56
ADORA1 P30542 2/20 0.56
HPGD P15428 2/20 0.54
HIF1A Q16665 1/20 0.54
HTT P42858 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
HSD17B10 Q99714 1/20 0.54

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
SCHEMBL17772703 0.90 MAOA (0.62) MAOBMAOAALDH1A1LMNAGAA
SCHEMBL17772706 0.86 MAOA (0.74) MAOBMAOAALDH1A1LMNAGAA
SCHEMBL16079496 0.83 LMNA (0.68) MAOBMAOAALDH1A1LMNAGAA
SCHEMBL16029416 0.83 MAOA (0.70) MAOBMAOAALDH1A1LMNAGAA
SCHEMBL16029594 0.83 MAOA (0.60) MAOBMAOAALDH1A1LMNAGAA
SCHEMBL16029365 0.82 MAOA (0.63) MAOBMAOAALDH1A1LMNAGAA
SCHEMBL16079502 0.82 MAOB (0.63) MAOBMAOAALDH1A1LMNAGAA
SCHEMBL19560446 0.82 MAPK1 (0.62) MAOBMAOAALDH1A1LMNAGAA
SCHEMBL16029599 0.82 MAOB (0.63) MAOBMAOAALDH1A1LMNAGAA
SCHEMBL16029533 0.82 ALDH1A1 (0.79) MAOBMAOAALDH1A1LMNAGAA

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
EP-2970316-B1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES INC (US) 2017-11-08 EP disclosed
US-20160145257-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. 2016-05-26 US disclosed
US-20160145257-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. 2016-05-26 US disclosed
US-20140275528-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. (US) 2014-09-18 US disclosed
US-20140275528-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. (US) 2014-09-18 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 (2 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-20160145257-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 MAOB 518/4885MAOA 886/4885ALDH1A1 1647/4885
US-20140275528-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 MAOB 518/4885MAOA 886/4885ALDH1A1 1647/4885

“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.