SCHEMBL12508169

SCHEMBL12508169

C=CCC(CC(=O)NCc1ccc(Cl)cc1)C(=O)NCC(O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.47
ALDH1A1 P00352 2/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
TACR1 P25103 1/20 0.45
ATM Q13315 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
BCAT2 O15382 1/20 0.40
KDM4E B2RXH2 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
ASAH1 Q13510 1/20 0.39

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
SCHEMBL2190863 1.00 LMNA (0.47) LMNAALDH1A1L3MBTL1TACR1ATM
SCHEMBL17497671 0.86 L3MBTL1 (0.46) L3MBTL1ATMNPC1RAB9ASMN1; SMN2
SCHEMBL17497670 0.86 L3MBTL1 (0.46) L3MBTL1ATMNPC1RAB9ASMN1; SMN2
SCHEMBL17497666 0.86 L3MBTL1 (0.46) L3MBTL1ATMNPC1RAB9ASMN1; SMN2
SCHEMBL2189803 0.82 L3MBTL1 (0.53) LMNAALDH1A1L3MBTL1TACR1ATM
SCHEMBL2189806 0.82 L3MBTL1 (0.53) LMNAALDH1A1L3MBTL1TACR1ATM
SCHEMBL2192365 0.81 GAA (0.48) LMNAALDH1A1L3MBTL1TACR1ATM
SCHEMBL2192355 0.81 GAA (0.48) LMNAALDH1A1L3MBTL1TACR1ATM
SCHEMBL2193096 0.73 L3MBTL1 (0.64) LMNAL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL12418066 0.73 L3MBTL1 (0.64) LMNAL3MBTL1NPC1RAB9ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110172233-A1 SONIC HEDGEHOG MODULATORS MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2011-07-14 US disclosed
WO-2009132032-A2 SONIC HEDGEHOG MODULATORS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-10-29 WO 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-20110172233-A1 SONIC HEDGEHOG MODULATORS SHH, GLI1, SMO LMNA 4481/4885ALDH1A1 4466/4885L3MBTL1 1133/4885

“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.