SCHEMBL10157809

SCHEMBL10157809

CNS(=O)(=O)c1cc(N=O)ccc1N1CCN(C)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.43
HTT P42858 3/20 0.43
CYP3A4 P08684 3/20 0.42
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
MEN1 O00255 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
KMT2A Q03164 1/20 0.39
PKM P14618 1/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 3/20 0.36
HTR6 P50406 1/20 0.36
GAA P10253 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.35
RAD52 P43351 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL10126981 0.81 MAPT (0.54) LMNAHTTCYP3A4ALDH1A1SMN1; SMN2
SCHEMBL11713509 0.77 ERAP1 (0.53) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL11708704 0.76 ERAP1 (0.52) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL10126983 0.76 HTT (0.64) LMNAHTTCYP3A4ALDH1A1SMN1; SMN2
SCHEMBL10156591 0.76 ALDH1A1 (0.46) LMNAHTTCYP3A4ALDH1A1SMN1; SMN2
SCHEMBL29037852 0.74 KDM4E (0.50) LMNAALDH1A1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL10156732 0.74 KDM4E (0.44) HTTALDH1A1MEN1KMT2AMAPT
SCHEMBL10157151 0.73 ALDH1A1 (0.45) LMNACYP3A4ALDH1A1CYP1A2CYP2C19
SCHEMBL10155996 0.72 CYP3A4 (0.41) HTTCYP3A4ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL18377081 0.70 HTR6 (0.46) LMNAHTTCYP3A4ALDH1A1SMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND WATERS TECHNOLOGIES CORPORATION (US) 2012-02-16 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-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 LMNA 2845/4885HTT 3739/4885CYP3A4 3570/4885

“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.