SCHEMBL16945305

SCHEMBL16945305

Cc1cn2c(C(=O)NCc3cccc(OC(C)C)c3)c(C)nc2s1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.45
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
ROCK2 O75116 2/20 0.45
ROCK1 Q13464 1/20 0.45
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
MMP13 P45452 3/20 0.43
TP53 P04637 2/20 0.43
CHRM4 P08173 1/20 0.41
MAOB P27338 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
RXFP1 Q9HBX9 2/20 0.41
MAPT P10636 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
SCHEMBL16945273 0.90 LMNA (0.54) LMNAHTTSMN1; SMN2KDM4EPKM
SCHEMBL16945312 0.88 ROCK1 (0.51) LMNAHTTSMN1; SMN2KDM4EPKM
SCHEMBL16945283 0.86 MAPK14 (0.53) ROCK2ROCK1MMP13
SCHEMBL16945336 0.85 MMP13 (0.46) LMNAHTTSMN1; SMN2KDM4EPKM
SCHEMBL16945335 0.85 PPARG (0.46) LMNAHTTSMN1; SMN2KDM4EPKM
SCHEMBL16945269 0.84 SCD (0.50) LMNAHTTSMN1; SMN2KDM4EPKM
SCHEMBL16945280 0.84 KMT2A (0.52) LMNASMN1; SMN2TP53MAOBMEN1
SCHEMBL16945276 0.84 LMNA (0.53) LMNAHTTSMN1; SMN2KDM4EPKM
SCHEMBL24003414 0.83 SMN1; SMN2 (0.44) LMNAHTTSMN1; SMN2KDM4EPKM
SCHEMBL16945334 0.83 MAPK14 (0.52) MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2875029-B1 5,5-HETEROAROMATIC ANTI-INFECTIVE COMPOUNDS MORASKI GARRETT (US) 2021-11-10 EP disclosed
US-9605002-B2 5,5-heteroaromatic anti-infective compounds UNIVERSITY OF NOTRE DAME DU LAC (US) 2017-03-28 US disclosed
US-9605002-B2 5,5-heteroaromatic anti-infective compounds UNIVERSITY OF NOTRE DAME DU LAC (US) 2017-03-28 US disclosed
US-20150210715-A1 5,5-HETEROAROMATIC ANTI-INFECTIVE COMPOUNDS UNIVERSITY OF NOTRE DAME DU LAC 2015-07-30 US disclosed
US-20150210715-A1 5,5-HETEROAROMATIC ANTI-INFECTIVE COMPOUNDS UNIVERSITY OF NOTRE DAME DU LAC 2015-07-30 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-20150210715-A1 5,5-HETEROAROMATIC ANTI-INFECTIVE COMPOUNDS API5, CASP5, IL5 LMNA 2678/4885HTT 3043/4885SMN1; SMN2 3693/4885

“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.