SCHEMBL12549321

SCHEMBL12549321

Cc1cc(C)nc(NC(=O)c2cc(C(=O)Nc3cc(C)cc(C)n3)cc(-c3cc(C(=O)Nc4cc(C)cc(C)n4)cc(C(=O)Nc4cc(C)cc(C)n4)c3)c2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.60
CHRNB2 P17787 1/20 0.58
CHRNB4 P30926 1/20 0.58
CHRNA3 P32297 1/20 0.58
CHRNA4 P43681 1/20 0.58
MAPT P10636 2/20 0.55
LMNA P02545 2/20 0.55
SORT1 Q99523 1/20 0.51
MAPK1 P28482 2/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
ALDH1A1 P00352 1/20 0.49
NPC1 O15118 1/20 0.49
GBA1 P04062 1/20 0.49
RAB9A P51151 1/20 0.49
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
PKM P14618 1/20 0.48
KMT2A Q03164 1/20 0.48
GRM5 P41594 3/20 0.48
NOS3 P29474 1/20 0.47

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
SCHEMBL14097068 0.95 LCK (0.66) LCKCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL12549340 0.86 CHRNB2 (0.58) LCKCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3362301 0.82 CHRNB2 (0.64) LCKCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL8660822 0.81 CHRNB2 (0.63) LCKCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL15045375 0.80 GRM5 (0.76) LCKCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL30711612 0.78 LCK (0.67) LCKCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL4504096 0.78 LCK (0.67) LCKCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL23657484 0.77 CHRNB2 (0.74) LCKCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL50044 0.77 LCK (0.60) LCKCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3424508 0.76 ALDH1A1 (0.64) CHRNB2CHRNB4CHRNA3CHRNA4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450318-B2 Method to treat infections using anti-infective agents K.U. LEUVEN RESEARCH AND DEVELOPMENT (BE) 2013-05-28 US disclosed
US-8450318-B2 Method to treat infections using anti-infective agents K.U. LEUVEN RESEARCH AND DEVELOPMENT (BE) 2013-05-28 US disclosed
US-20110136840-A1 ANTI-INFECTIVE AGENTS MAZIK, MONIKA (DE) 2011-06-09 US disclosed
US-20110136840-A1 ANTI-INFECTIVE AGENTS MAZIK, MONIKA (DE) 2011-06-09 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-20110136840-A1 ANTI-INFECTIVE AGENTS ICAM1, MANBA, ALG1 LCK 1930/4885CHRNB2 4865/4885CHRNB4 4851/4885

“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.