SCHEMBL16029477

SCHEMBL16029477

Cn1c(=O)c2c([nH]c(=S)n2Cc2cccc(Br)c2)n(C)c1=O

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.60
MEN1 O00255 1/20 0.60
GAA P10253 1/20 0.60
G6PD P11413 1/20 0.60
LGMN Q99538 2/20 0.54
TSHR P16473 2/20 0.50
MAPT P10636 2/20 0.49
MAPK1 P28482 3/20 0.49
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
POLB P06746 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
HIF1A Q16665 1/20 0.48
ADORA2A P29274 2/20 0.47
ADORA1 P30542 2/20 0.47
MAOB P27338 3/20 0.47
MAOA P21397 1/20 0.47

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
SCHEMBL16029357 0.76 SMN1; SMN2 (0.73) KMT2ATSHRMAPTMAPK1LMNA
SCHEMBL16029641 0.73 TSHR (0.70) KMT2ATSHRMAPTMAPK1LMNA
SCHEMBL16029127 0.72 TSHR (0.66) KMT2ATSHRMAPTMAPK1LMNA
SCHEMBL16028653 0.72 ALDH1A1 (0.76) KMT2ATSHRMAPTMAPK1LMNA
SCHEMBL16029359 0.70 SMN1; SMN2 (0.67) KMT2ATSHRMAPTMAPK1LMNA
SCHEMBL16030412 0.70 TSHR (0.64) KMT2ATSHRMAPTMAPK1LMNA
SCHEMBL15917049 0.70 PDE3B (0.77) KMT2AMAPK1ALDH1A1ADORA2AADORA1
SCHEMBL17772705 0.70 MAPT (0.64) KMT2ATSHRMAPTMAPK1LMNA
SCHEMBL16029162 0.70 SMN1; SMN2 (0.63) KMT2ATSHRMAPTMAPK1LMNA
SCHEMBL17772702 0.69 SMN1; SMN2 (0.74) KMT2AMEN1TSHRMAPK1LMNA

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 3 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-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 KMT2A 4201/4885MEN1 2331/4885GAA 2882/4885
US-20140275528-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 KMT2A 4201/4885MEN1 2331/4885GAA 2882/4885

“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.