SCHEMBL17466652

SCHEMBL17466652

Cc1cc(C)cc(NC(=S)N[C@H]2CCCC[C@H]2NC(=S)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.51
GAA P10253 5/20 0.49
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
HTT P42858 1/20 0.48
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.45
ALOX12 P18054 1/20 0.45
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPT P10636 5/20 0.42
KDM4E B2RXH2 2/20 0.42
NPSR1 Q6W5P4 1/20 0.41
MYC P01106 1/20 0.41
MAX P61244 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
SCHEMBL17448378 0.92 LMNA (0.58) LMNAGAAMEN1KMT2ASMN1; SMN2
SCHEMBL7520490 0.92 LMNA (0.58) LMNAGAAMEN1KMT2ASMN1; SMN2
SCHEMBL31484379 0.92 LMNA (0.58) LMNAGAAMEN1KMT2ASMN1; SMN2
SCHEMBL19797810 0.88 LMNA (0.46) LMNAGAAMEN1KMT2ASMN1; SMN2
SCHEMBL14605633 0.88 LMNA (0.52) LMNAGAAMEN1KMT2ASMN1; SMN2
SCHEMBL16274251 0.88 LMNA (0.52) LMNAGAAMEN1KMT2ASMN1; SMN2
SCHEMBL17466653 0.86 LMNA (0.46) LMNAGAAMEN1KMT2ASMN1; SMN2
SCHEMBL19979000 0.86 LMNA (0.46) LMNAGAAMEN1KMT2ASMN1; SMN2
SCHEMBL2623072 0.86 LMNA (0.46) LMNAGAAMEN1KMT2ASMN1; SMN2
SCHEMBL12660185 0.86 LMNA (0.46) LMNAGAAMEN1KMT2ASMN1; 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-9744528-B2 Metallorganocatalysis for asymmetric transformations RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-08-29 US disclosed
US-20160023198-A1 Metallorganocatalysis For Asymmetric Transformations Rutgars, The State University of New Jersey (US) 2016-01-28 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 (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-20160023198-A1 Metallorganocatalysis For Asymmetric Transformations SOD1, AOC3, CBR1 LMNA 4295/4885GAA 3084/4885MEN1 3293/4885

“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.