SCHEMBL16079029

SCHEMBL16079029

CCCCOC1CC(n2c(=O)[nH]c3ncn(Cc4ccc(Cl)cc4)c3c2=O)C1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CNOT7 Q9UIV1 7/20 0.43
▸ PARN O95453 1/20 0.41
▸ LMNA P02545 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ BRD4 O60885 1/20 0.38
▸ BRD2 P25440 1/20 0.38
▸ BRD3 Q15059 1/20 0.38
▸ BRDT Q58F21 1/20 0.38
▸ TRPA1 O75762 4/20 0.38
▸ NPC1 O15118 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33

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
SCHEMBL16028031 0.84 CNOT7 (0.52) CNOT7PARNLMNAMAPK1BRD4
SCHEMBL16076193 0.83 CNOT7 (0.48) CNOT7PARNLMNAMAPK1BRD4
SCHEMBL16079027 0.82 LMNA (0.57) LMNAMAPK1TRPA1NPC1TSHR
SCHEMBL16076166 0.72 LMNA (0.61) CNOT7PARNLMNAMAPK1BRD4
SCHEMBL16079028 0.71 MAPT (0.46) LMNAMAPK1TSHRALDH1A1
SCHEMBL16027911 0.67 LMNA (0.57) CNOT7LMNAMAPK1TRPA1TSHR
SCHEMBL2984842 0.66 CNOT7 (0.54) CNOT7PARNLMNABRD4BRD2
SCHEMBL14327687 0.65 CNOT7 (0.53) CNOT7PARNLMNAMAPK1TSHR
SCHEMBL2993196 0.65 CNOT7 (0.53) CNOT7PARNLMNABRD4BRD2
SCHEMBL16079026 0.64 SMN1; SMN2 (0.39) LMNAALDH1A1

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-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
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 (3 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 CNOT7 1041/4885PARN 1953/4885LMNA 704/4885
US-20140275071-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 CNOT7 1041/4885PARN 1953/4885LMNA 704/4885
US-20160237089-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 CNOT7 1041/4885PARN 1953/4885LMNA 704/4885

“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.

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