SCHEMBL4197956

SCHEMBL4197956

CCCCSCC(=O)c1cc2[nH]c(=O)[nH]c2cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 7/20 0.36
TSHR P16473 2/20 0.36
ABL1 P00519 1/20 0.36
RIN1 Q13671 1/20 0.36
MAPT P10636 3/20 0.36
ALOX15 P16050 1/20 0.36
POLB P06746 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CES1 P23141 1/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
BLM P54132 2/20 0.33
CES2 O00748 1/20 0.33
GMNN O75496 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL4196822 0.82 CMA1 (0.36) THRBMAPTALOX15POLBCES1
SCHEMBL4195489 0.77 POLB (0.44) TSHRABL1RIN1MAPTALOX15
SCHEMBL4188299 0.76 MAPT (0.40) THRBMAPTALOX15POLBSMN1; SMN2
SCHEMBL13854243 0.75 THRB (0.36) THRBMAPTALOX15POLBCES1
SCHEMBL4202518 0.74 SMYD3 (0.44) THRB
SCHEMBL14498106 0.74 THRB (0.33) THRBMAPTALOX15POLBCES1
SCHEMBL13854247 0.72 THRB (0.36) THRBMAPTALOX15POLBCES1
SCHEMBL4190039 0.72 MAPT (0.36) THRBMAPTALOX15TP53
SCHEMBL8543005 0.71 ALDH1A1 (0.41) TSHRMAPTPOLBSMN1; SMN2GRIN2D
SCHEMBL13854244 0.71 THRB (0.33) THRBMAPTALOX15CES1

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 5 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
WO-2007070961-A1 MIF INHIBITORS CORTICAL PTY LTD (AU) 2007-06-28 WO 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 THRB 3310/4885TSHR 3677/4885ABL1 2139/4885
US-20170079958-A1 MIF INHIBITORS FOR THE ACUTE OR CHRONIC TREATMENT OF PULMONARY HYPERTENSION MIF, CCL11, PGF THRB 2300/4885TSHR 2496/4885ABL1 2335/4885

“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.