SCHEMBL4208102

SCHEMBL4208102

O=C(CSCCO)c1ccc2[nH]c(=O)[nH]c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMYD3 Q9H7B4 1/20 0.39
MAPT P10636 6/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPK1 P28482 2/20 0.37
LMNA P02545 2/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GAA P10253 2/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
PKM P14618 1/20 0.37
KLK7 P49862 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
BCL6 P41182 2/20 0.36

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
SCHEMBL4190166 0.89 MEN1 (0.37) MEN1KMT2ASMYD3MAPTALDH1A1
SCHEMBL4202501 0.86 ALDH1A1 (0.53) MEN1KMT2ASMYD3MAPTALDH1A1
SCHEMBL14498022 0.85 MEN1 (0.38) MEN1KMT2ASMYD3MAPTALDH1A1
SCHEMBL4195489 0.85 POLB (0.44) MEN1KMT2ASMYD3MAPTALDH1A1
SCHEMBL4192637 0.84 ALDH1A1 (0.51) MEN1KMT2ASMYD3MAPTALDH1A1
SCHEMBL4200312 0.81 MAPT (0.41) MEN1KMT2ASMYD3MAPTALDH1A1
SCHEMBL13062695 0.79 MEN1 (0.47) MEN1KMT2ASMYD3MAPTALDH1A1
SCHEMBL13854198 0.79 BCL6 (0.42) MEN1KMT2ASMYD3MAPTALDH1A1
SCHEMBL12658564 0.75 MEN1 (0.41) MEN1KMT2ASMYD3MAPTKDM4E
SCHEMBL4194809 0.74 ALDH1A1 (0.58) MEN1KMT2ASMYD3MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170079958-A1 MIF INHIBITORS FOR THE ACUTE OR CHRONIC TREATMENT OF PULMONARY HYPERTENSION Universite Paris-Saclay (FR) 2017-03-23 US disclosed
US-20090130165-A1 MIF Inhibitors CORTICAL PTY LTD 2009-05-21 US disclosed
US-20090130165-A1 MIF Inhibitors CORTICAL PTY LTD 2009-05-21 US disclosed
US-20090130165-A1 MIF Inhibitors CORTICAL PTY LTD 2009-05-21 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 (2 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-20090130165-A1 MIF Inhibitors MIF, MMP12, IL4 MEN1 1185/4885KMT2A 3626/4885SMYD3 4031/4885
US-20170079958-A1 MIF INHIBITORS FOR THE ACUTE OR CHRONIC TREATMENT OF PULMONARY HYPERTENSION MIF, CCL11, PGF MEN1 652/4885KMT2A 3516/4885SMYD3 3217/4885

“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.