SCHEMBL16079496

SCHEMBL16079496

CC(O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc(Br)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.68
SMN1; SMN2 Q16637 4/20 0.68
MAPK1 P28482 3/20 0.68
POLB P06746 1/20 0.68
KMT2A Q03164 2/20 0.62
MAOA P21397 2/20 0.61
MAOB P27338 2/20 0.61
ALDH1A1 P00352 6/20 0.60
GAA P10253 1/20 0.60
TSHR P16473 4/20 0.59
MEN1 O00255 1/20 0.59
MAPT P10636 4/20 0.56
HTT P42858 2/20 0.55
HSD17B10 Q99714 1/20 0.55
BRAF P15056 1/20 0.54
HPGD P15428 1/20 0.53
HIF1A Q16665 1/20 0.53
NPSR1 Q6W5P4 2/20 0.53
ADORA2A P29274 1/20 0.52
ADORA1 P30542 1/20 0.52

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
SCHEMBL19560446 0.91 MAPK1 (0.62) LMNASMN1; SMN2MAPK1POLBKMT2A
SCHEMBL19560447 0.89 MAPK1 (0.68) LMNASMN1; SMN2MAPK1POLBKMT2A
SCHEMBL17772706 0.85 MAOA (0.74) LMNASMN1; SMN2MAPK1POLBKMT2A
SCHEMBL16029594 0.84 MAOA (0.60) LMNASMN1; SMN2MAPK1POLBKMT2A
SCHEMBL16079488 0.83 MAOB (0.62) LMNASMN1; SMN2MAPK1POLBKMT2A
SCHEMBL17772703 0.83 MAOA (0.62) LMNASMN1; SMN2MAPK1POLBKMT2A
SCHEMBL16029416 0.83 MAOA (0.70) LMNASMN1; SMN2MAPK1POLBKMT2A
SCHEMBL16059176 0.82 LMNA (0.62) LMNASMN1; SMN2MAPK1POLBKMT2A
SCHEMBL16029513 0.82 GAA (0.68) LMNASMN1; SMN2MAPK1POLBKMT2A
SCHEMBL16030391 0.82 MAOA (0.61) LMNASMN1; SMN2MAPK1POLBKMT2A

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 LMNA 704/4885SMN1; SMN2 1307/4885MAPK1 3995/4885
US-20140275528-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 LMNA 704/4885SMN1; SMN2 1307/4885MAPK1 3995/4885

“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.