SCHEMBL16029556

SCHEMBL16029556

CCc1coc(CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(C(C)=O)cc2)n1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLD3 Q8IV08 1/20 0.56
ALDH1A1 P00352 8/20 0.55
TSHR P16473 6/20 0.55
NPSR1 Q6W5P4 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
LMNA P02545 2/20 0.55
MAPT P10636 4/20 0.54
HTT P42858 1/20 0.54
MAPK1 P28482 3/20 0.50
RXFP1 Q9HBX9 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
POLB P06746 1/20 0.49
HPGD P15428 1/20 0.49
TP53 P04637 3/20 0.49
GAA P10253 2/20 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
SCHEMBL16029049 0.90 ALDH1A1 (0.55) PLD3ALDH1A1TSHRNPSR1SMN1; SMN2
SCHEMBL16029479 0.89 TSHR (0.70) PLD3ALDH1A1TSHRNPSR1SMN1; SMN2
SCHEMBL16029403 0.89 ALDH1A1 (0.70) PLD3ALDH1A1TSHRNPSR1SMN1; SMN2
SCHEMBL16029352 0.88 ALDH1A1 (0.63) PLD3ALDH1A1TSHRNPSR1SMN1; SMN2
SCHEMBL16029277 0.88 ALDH1A1 (0.58) PLD3ALDH1A1TSHRNPSR1SMN1; SMN2
SCHEMBL16029504 0.87 ALDH1A1 (0.56) PLD3ALDH1A1TSHRNPSR1SMN1; SMN2
SCHEMBL16029321 0.86 ALDH1A1 (0.55) PLD3ALDH1A1TSHRNPSR1SMN1; SMN2
SCHEMBL19560555 0.84 ALDH1A1 (0.58) PLD3ALDH1A1TSHRNPSR1SMN1; SMN2
SCHEMBL16029974 0.84 MAPT (0.53) PLD3ALDH1A1TSHRNPSR1SMN1; SMN2
SCHEMBL16029656 0.83 MAOA (0.60) PLD3ALDH1A1TSHRNPSR1SMN1; SMN2

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 PLD3 2225/4885ALDH1A1 1647/4885TSHR 4540/4885
US-20140275528-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 PLD3 2225/4885ALDH1A1 1647/4885TSHR 4540/4885

“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.