SCHEMBL16029656

SCHEMBL16029656

CCc1coc(CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc(Cl)c2)n1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.60
MAOB P27338 3/20 0.60
ALDH1A1 P00352 10/20 0.60
NPSR1 Q6W5P4 6/20 0.60
MAPT P10636 3/20 0.60
HTT P42858 1/20 0.60
TSHR P16473 5/20 0.59
LMNA P02545 3/20 0.55
GAA P10253 2/20 0.55
MAPK1 P28482 5/20 0.54
HSD17B10 Q99714 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
TP53 P04637 3/20 0.52
ALOX15 P16050 2/20 0.52
HPGD P15428 2/20 0.51
POLB P06746 1/20 0.51
PLD3 Q8IV08 1/20 0.49

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
SCHEMBL19560555 0.92 ALDH1A1 (0.58) MAOAMAOBALDH1A1NPSR1MAPT
SCHEMBL16029459 0.90 ALDH1A1 (0.68) MAOAMAOBALDH1A1NPSR1MAPT
SCHEMBL16029479 0.90 TSHR (0.70) MAOAMAOBALDH1A1NPSR1MAPT
SCHEMBL16030036 0.90 ALDH1A1 (0.55) MAOAMAOBALDH1A1NPSR1MAPT
SCHEMBL16029449 0.90 MAOA (0.60) MAOAMAOBALDH1A1NPSR1MAPT
SCHEMBL16029531 0.88 MAOA (0.58) MAOAMAOBALDH1A1MAPTHTT
SCHEMBL16029049 0.87 ALDH1A1 (0.55) ALDH1A1NPSR1MAPTHTTTSHR
SCHEMBL16029854 0.87 ALDH1A1 (0.53) MAOAMAOBALDH1A1NPSR1MAPT
SCHEMBL16029403 0.87 ALDH1A1 (0.70) MAOBALDH1A1NPSR1MAPTHTT
SCHEMBL16029352 0.86 ALDH1A1 (0.63) MAOAMAOBALDH1A1NPSR1MAPT

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 10 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
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-20160145257-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. 2016-05-26 US disclosed
WO-2014152287-A9 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. (US) 2015-04-23 WO disclosed
WO-2014152287-A2 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. (US) 2014-09-25 WO 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
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 MAOA 886/4885MAOB 518/4885ALDH1A1 1647/4885
US-20140275528-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 MAOA 886/4885MAOB 518/4885ALDH1A1 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.