SCHEMBL24372552

SCHEMBL24372552

O=C(CS)OCCCc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MGLL Q99685 4/20 0.43
FFAR1 O14842 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
HDAC2 Q92769 2/20 0.42
NPC1 O15118 1/20 0.42
RECQL P46063 1/20 0.42
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC1 Q13547 1/20 0.41
MAPT P10636 1/20 0.41
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 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
SCHEMBL24372731 0.95 MGLL (0.46) MGLLFFAR1HDAC2HDAC1
SCHEMBL24372556 0.93 LMNA (0.49) LMNASMN1; SMN2ALDH1A1FFAR1TDP1
SCHEMBL24372734 0.92 LMNA (0.53) LMNASMN1; SMN2ALDH1A1MGLLFFAR1
SCHEMBL24373015 0.88 FFAR1 (0.45) LMNASMN1; SMN2ALDH1A1FFAR1TDP1
SCHEMBL12112846 0.85 TDP1 (0.54) MGLLFFAR1TDP1
SCHEMBL24372603 0.84 PPARG (0.36) LMNASMN1; SMN2ALDH1A1MGLLKDM4E
SCHEMBL24372545 0.83 ALDH1A1 (0.46) LMNASMN1; SMN2ALDH1A1FFAR1NPC1
SCHEMBL24372549 0.83 LMNA (0.47) LMNASMN1; SMN2ALDH1A1MGLLFFAR1
SCHEMBL279288 0.82 LMNA (0.46) LMNASMN1; SMN2MGLLFFAR1HDAC2
SCHEMBL2602486 0.81 THRB (0.49) LMNASMN1; SMN2ALDH1A1MGLLFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220127286-A1 LIGANDS FOR NANO-SIZED MATERIALS MERCK PATENT GMBH (DE) 2022-04-28 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-20220127286-A1 LIGANDS FOR NANO-SIZED MATERIALS L1CAM, EPCAM, SELPLG LMNA 1891/4885SMN1; SMN2 4648/4885ALDH1A1 3030/4885

“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.