SCHEMBL18021118

SCHEMBL18021118

CCCn1c(=O)c2c(nc(Oc3cccc(OC(F)(F)F)c3)n2Cc2ccc(Cl)cn2)n(C)c1=O

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPC5 Q9UL62 4/20 0.68
TRPC4 Q9UBN4 2/20 0.68
TRPC1 P48995 1/20 0.68
KCNH2 Q12809 1/20 0.53
TP53 P04637 1/20 0.45
NCOA1 Q15788 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
TSHR P16473 3/20 0.44
LMNA P02545 1/20 0.44
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 1/20 0.43
HIF1A Q16665 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PCSK9 Q8NBP7 1/20 0.42

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
SCHEMBL16028376 0.93 TRPC5 (0.67) TRPC5TRPC4TRPC1KCNH2TP53
SCHEMBL16027658 0.92 TRPC5 (0.81) TRPC5TRPC4TRPC1KCNH2TP53
SCHEMBL16028140 0.91 TRPC5 (0.66) TRPC5TRPC4TRPC1KCNH2TP53
SCHEMBL16076123 0.89 TRPC5 (0.83) TRPC5TRPC4TRPC1KCNH2TP53
SCHEMBL16027901 0.89 TRPC5 (0.64) TRPC5TRPC4TRPC1KCNH2TP53
SCHEMBL16076220 0.88 TRPC5 (0.60) TRPC5TRPC4TRPC1KCNH2TP53
SCHEMBL16364222 0.87 TRPC4 (0.59) TRPC5TRPC4TRPC1KCNH2TP53
SCHEMBL16076257 0.86 TRPC4 (0.72) TRPC5TRPC4TRPC1KCNH2TP53
SCHEMBL16028131 0.86 TRPC5 (0.70) TRPC5TRPC4TRPC1KCNH2NCOA1
SCHEMBL16364194 0.85 TRPC5 (0.58) TRPC5TRPC4TRPC1KCNH2TP53

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
US-9969736-B2 Substituted xanthines and methods of use thereof HYDRA BIOSCIENCES, INC. (US) 2018-05-15 US disclosed
US-20170305910-A1 Substituted Xanthines and Methods of Use Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-10-26 US disclosed
US-20160237089-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. 2016-08-18 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-20170305910-A1 Substituted Xanthines and Methods of Use Thereof TRPC5, TRPC7, TRPC4 TRPC5 1/4885TRPC4 3/4885TRPC1 4/4885
US-20160237089-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 TRPC5 1/4885TRPC4 3/4885TRPC1 4/4885

“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.