SCHEMBL19505598

SCHEMBL19505598

C[Si](C)(C)CCOCN1c2nc(Cl)n(Cc3ccc(Cl)cc3)c2C(=O)NC1O

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 1/20 0.32
▸ PDE5A O76074 2/20 0.32
▸ HTT P42858 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ DRD2 P14416 2/20 0.31
▸ TBXA2R P21731 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ F11 P03951 1/20 0.31

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
SCHEMBL21316270 0.92 F11 (0.37) PDE5AALDH1A1MEN1LMNAKMT2A
SCHEMBL22105780 0.69 ALDH1A1 (0.38) HTTALDH1A1DRD2TBXA2RMEN1
SCHEMBL16027860 0.68 ALDH1A1 (0.48) NOD1HTTALDH1A1MEN1KMT2A
SCHEMBL20432001 0.68 POLB (0.39) NOD1PDE5AHTTALDH1A1MEN1
SCHEMBL21527515 0.66 NPC1 (0.30) —
SCHEMBL19505218 0.65 TLR7 (0.36) NOD1HTTALDH1A1MEN1LMNA
SCHEMBL31052938 0.65 TRPC5 (0.42) HTTALDH1A1SMN1; SMN2
SCHEMBL18834083 0.64 TRPC5 (0.49) HTTSMN1; SMN2
SCHEMBL21527507 0.63 BRD4 (0.35) —
SCHEMBL21316287 0.63 ALDH1A1 (0.35) NOD1ALDH1A1MEN1KMT2A

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 NOD1 499/4885PDE5A 461/4885HTT 1025/4885

“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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