SCHEMBL16079481

SCHEMBL16079481

CCOCCSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc(Cl)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.63
MAOB P27338 5/20 0.63
TSHR P16473 5/20 0.63
ALDH1A1 P00352 9/20 0.61
LMNA P02545 2/20 0.61
GAA P10253 2/20 0.61
NPSR1 Q6W5P4 5/20 0.59
MAPT P10636 3/20 0.59
HTT P42858 3/20 0.59
SMN1; SMN2 Q16637 4/20 0.58
TP53 P04637 2/20 0.55
ALOX15 P16050 1/20 0.55
MAPK1 P28482 3/20 0.54
HSD17B10 Q99714 2/20 0.54
HPGD P15428 1/20 0.53
BRAF P15056 1/20 0.53
PIK3CG P48736 1/20 0.53
GLA P06280 1/20 0.51
UBE2N P61088 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL19560474 0.91 ALDH1A1 (0.63) MAOAMAOBTSHRALDH1A1LMNA
SCHEMBL16029599 0.89 MAOB (0.63) MAOAMAOBTSHRALDH1A1LMNA
SCHEMBL16079515 0.83 ALDH1A1 (0.69) MAOAMAOBTSHRALDH1A1LMNA
SCHEMBL17772708 0.82 MAOA (0.64) MAOAMAOBTSHRALDH1A1LMNA
SCHEMBL17775046 0.82 ALDH1A1 (0.70) MAOAMAOBTSHRALDH1A1LMNA
SCHEMBL16029656 0.80 MAOA (0.60) MAOAMAOBTSHRALDH1A1LMNA
SCHEMBL16029652 0.80 MAOB (0.61) MAOAMAOBTSHRALDH1A1LMNA
SCHEMBL16029731 0.79 MAOA (0.68) MAOAMAOBTSHRALDH1A1LMNA
SCHEMBL16029858 0.78 ALDH1A1 (0.66) MAOAMAOBTSHRALDH1A1LMNA
SCHEMBL18834904 0.78 TSHR (0.83) MAOAMAOBTSHRALDH1A1LMNA

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 7 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
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

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 518/4885TSHR 4540/4885
US-20140275528-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 MAOA 886/4885MAOB 518/4885TSHR 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.