SCHEMBL20803928

SCHEMBL20803928

CC(C)c1ccc(C(=O)N2CCNCC2)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 5/20 0.48
▸ SCN7A Q01118 3/20 0.47
▸ KCNH2 Q12809 3/20 0.47
▸ SCN10A Q9Y5Y9 2/20 0.47
▸ SCN5A Q14524 1/20 0.47
▸ SCN2A Q99250 1/20 0.47
▸ SCN8A Q9UQD0 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SIGMAR1 Q99720 1/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.43
▸ PLA2G1B P04054 1/20 0.42
▸ ATG4B Q9Y4P1 1/20 0.42
▸ HPGD P15428 1/20 0.40
▸ CCNC P24863 2/20 0.40
▸ CDK8 P49336 2/20 0.40

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
SCHEMBL12186155 0.87 KMT2A (0.54) TDP1SMN1; SMN2MEN1ALDH1A1LMNA
SCHEMBL10329767 0.87 SMN1; SMN2 (0.58) KCNH2TDP1SMN1; SMN2MEN1ALDH1A1
SCHEMBL26772953 0.85 HRH3 (0.53) TDP1SMN1; SMN2MEN1ALDH1A1LMNA
SCHEMBL24370438 0.84 TDP1 (0.48) TDP1SMN1; SMN2MEN1ALDH1A1LMNA
SCHEMBL19473337 0.83 SMN1; SMN2 (0.65) TDP1SMN1; SMN2MEN1ALDH1A1LMNA
SCHEMBL19105545 0.81 SIGMAR1 (0.42) SCN9ASCN7AKCNH2SCN10ASCN5A
SCHEMBL12286062 0.81 TDP1 (0.60) SCN9ASCN7AKCNH2TDP1SMN1; SMN2
SCHEMBL13466364 0.78 PLA2G1B (0.45) SCN9ASCN10ATDP1SMN1; SMN2MEN1
SCHEMBL25658374 0.78 SMN1; SMN2 (0.55) SCN9ASCN7AKCNH2TDP1SMN1; SMN2
SCHEMBL20750490 0.78 CCNC (0.47) SCN9ASCN7AKCNH2SCN10ASCN5A

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-10633350-B2 Diphenyl derivatives and uses thereof NOVARTIS AG (CH) 2020-04-28 — — US disclosed
US-20190077773-A1 DIPHENYL DERIVATIVES AND USES THEREOF NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2019-03-14 — — US disclosed
US-20160118591-A1 ORGANIC ELECTROLUMINESCENT DEVICE HODOGAYA CHEMICAL CO., LTD. (JP) 2016-04-28 — — 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-20190077773-A1 DIPHENYL DERIVATIVES AND USES THEREOF MYOF, NGF, MUSK SCN9A 2916/4885SCN7A 2909/4885KCNH2 4689/4885
US-10633350-B2 Diphenyl derivatives and uses thereof MYOF, NGF, MUSK SCN9A 2916/4885SCN7A 2909/4885KCNH2 4689/4885

“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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