SCHEMBL16076063

SCHEMBL16076063

Cn1c(=O)n(CCCO)c(=O)c2c1nc(Oc1cccc(C(F)(F)F)c1)n2Cc1ccc(Cl)cn1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPC5 Q9UL62 6/20 0.67
TRPC4 Q9UBN4 2/20 0.67
TRPC1 P48995 1/20 0.67
KCNH2 Q12809 1/20 0.66
P2RX3 P56373 2/20 0.44
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
TP53 P04637 1/20 0.43
TSHR P16473 3/20 0.42
LMNA P02545 1/20 0.42
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41

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
SCHEMBL16027658 0.91 TRPC5 (0.81) TRPC5TRPC4TRPC1KCNH2TP53
SCHEMBL16028252 0.91 TRPC5 (0.60) TRPC5TRPC4TRPC1KCNH2MAOA
SCHEMBL30171354 0.91 TRPC5 (0.80) TRPC5TRPC4TRPC1KCNH2MAOB
SCHEMBL16028521 0.91 TRPC5 (0.80) TRPC5TRPC4TRPC1KCNH2MAOB
SCHEMBL16028337 0.90 TRPC5 (0.69) TRPC5TRPC4TRPC1KCNH2MAOA
SCHEMBL16028293 0.90 TRPC5 (0.71) TRPC5TRPC4TRPC1KCNH2TP53
SCHEMBL16027657 0.89 TRPC5 (0.70) TRPC5TRPC4TRPC1KCNH2TP53
SCHEMBL30171213 0.89 TRPC5 (0.70) TRPC5TRPC4TRPC1KCNH2TP53
SCHEMBL16028445 0.88 TRPC4 (0.67) TRPC5TRPC4TRPC1KCNH2P2RX3
SCHEMBL16028340 0.88 TRPC5 (0.67) 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230040259-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, LLC (US) 2023-02-09 US disclosed
US-11208409-B2 Substituted xanthines and methods of use thereof HYDRA BIOSCIENCES, LLC (US) 2021-12-28 US disclosed
US-20190322667-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-10-24 US disclosed
US-10399982-B2 Substituted xanthines and methods of use thereof HYDRA BIOSCIENCES, INC. (US) 2019-09-03 US disclosed
EP-2970303-B3 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES INC (US) 2018-08-01 EP disclosed
US-9969736-B2 Substituted xanthines and methods of use thereof HYDRA BIOSCIENCES, INC. (US) 2018-05-15 US disclosed
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-20170305910-A1 Substituted Xanthines and Methods of Use Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-10-26 US disclosed
EP-2970303-B9 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES INC (US) 2017-09-20 EP disclosed
EP-2970303-B1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES INC (US) 2017-05-10 EP disclosed
US-20160237089-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. 2016-08-18 US disclosed
US-20160237089-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. 2016-08-18 US disclosed
US-9359359-B2 Substituted xanthines and methods of use thereof HYDRA BIOSCIENCES, INC. (US) 2016-06-07 US disclosed
WO-2014143799-A9 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. (US) 2014-12-24 WO disclosed
US-20140275071-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. (US) 2014-09-18 US disclosed
US-20140275071-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 (7 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-20230040259-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 TRPC5 1/4885TRPC4 3/4885TRPC1 4/4885
US-20170305910-A1 Substituted Xanthines and Methods of Use Thereof TRPC5, TRPC7, TRPC4 TRPC5 1/4885TRPC4 3/4885TRPC1 4/4885
US-20140275071-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 TRPC5 1/4885TRPC4 3/4885TRPC1 4/4885
US-10399982-B2 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
US-11208409-B2 Substituted xanthines and methods of use thereof TRPC5, TRPC7, TRPC4 TRPC5 1/4885TRPC4 3/4885TRPC1 4/4885
US-20190322667-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.