SCHEMBL15023481

SCHEMBL15023481

O=C(NCCSCc1ccccc1)c1c(Cl)cccc1Cl

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.67
SMN1; SMN2 Q16637 3/20 0.67
ALDH1A1 P00352 11/20 0.58
HPGD P15428 9/20 0.58
KMT2A Q03164 3/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
KDM4E B2RXH2 2/20 0.53
PKM P14618 1/20 0.53
MAPT P10636 2/20 0.52
MAPK1 P28482 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MEN1 O00255 1/20 0.50
HTT P42858 1/20 0.49
ALOX12 P18054 1/20 0.49
USP2 O75604 1/20 0.49

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) LMNASMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL15022893 0.89 KMT2A (0.55) LMNASMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL15033610 0.88 ALDH1A1 (0.67) LMNASMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL15033637 0.88 GAA (0.59) LMNASMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL15022824 0.87 LMNA (0.58) LMNASMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL15022957 0.87 LMNA (0.50) LMNASMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL15023269 0.86 ALDH1A1 (0.61) LMNASMN1; SMN2ALDH1A1HPGDCYP1A2
SCHEMBL15023051 0.85 LMNA (0.49) LMNASMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL15023260 0.85 TP53 (0.54) LMNASMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL15022960 0.85 LMNA (0.60) LMNASMN1; SMN2ALDH1A1HPGDKMT2A

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 3 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
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 LMNA 737/4885SMN1; SMN2 491/4885ALDH1A1 4152/4885

“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.