SCHEMBL15022893

SCHEMBL15022893

O=C(NCCSCc1ccc(O)cc1)c1c(Cl)cccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.55
LMNA P02545 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
ALDH1A1 P00352 10/20 0.50
HPGD P15428 6/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
ALOX12 P18054 1/20 0.47
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RAB9A P51151 1/20 0.43

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
SCHEMBL15022877 0.90 KMT2A (0.67) KMT2ALMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL15023481 0.89 LMNA (0.67) KMT2ALMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL15022735 0.88 KMT2A (0.48) KMT2ALMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL15033610 0.88 ALDH1A1 (0.67) KMT2ALMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL15022957 0.87 LMNA (0.50) KMT2ALMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL15023508 0.85 ALDH1A1 (0.63) KMT2ALMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL15033623 0.83 ALDH1A1 (0.47) KMT2ALMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL15033637 0.83 GAA (0.59) KMT2ALMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL15038327 0.82 ALDH1A1 (0.55) KMT2ALMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL15023269 0.81 ALDH1A1 (0.61) LMNASMN1; SMN2ALDH1A1HPGDCYP1A2

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-20130158112-A1 COMPOSITIONS AND METHODS FOR INHIBITING BETA AMYLOID SECRETION CASE WESTERN RESERVE UNIVERSITY 2013-06-20 US disclosed
US-20130158112-A1 COMPOSITIONS AND METHODS FOR INHIBITING BETA AMYLOID SECRETION CASE WESTERN RESERVE UNIVERSITY 2013-06-20 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-20130158112-A1 COMPOSITIONS AND METHODS FOR INHIBITING BETA AMYLOID SECRETION IAPP, APP, BACE1 KMT2A 4787/4885LMNA 737/4885SMN1; SMN2 491/4885

“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.