SCHEMBL17063607

SCHEMBL17063607

Cc1ccc(-c2nnc(SCCCC(=O)O)o2)c(Cl)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.68
TP53 P04637 4/20 0.68
MAPT P10636 5/20 0.56
THRB P10828 1/20 0.56
TSHR P16473 4/20 0.52
NPC1 O15118 5/20 0.51
RAB9A P51151 5/20 0.51
ALDH1A1 P00352 3/20 0.51
ALOX15 P16050 3/20 0.51
HPGD P15428 3/20 0.51
MAPK1 P28482 1/20 0.51
L3MBTL1 Q9Y468 3/20 0.48
TDP1 Q9NUW8 1/20 0.48
HSD17B10 Q99714 2/20 0.48
EGFR P00533 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45

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
SCHEMBL17063611 0.97 SMN1; SMN2 (0.67) SMN1; SMN2TP53MAPTTHRBTSHR
SCHEMBL17063600 0.93 SMN1; SMN2 (0.78) SMN1; SMN2TP53MAPTTHRBTSHR
SCHEMBL17068777 0.91 SMN1; SMN2 (0.58) SMN1; SMN2TP53MAPTTHRBTSHR
SCHEMBL17063608 0.88 SMN1; SMN2 (0.86) SMN1; SMN2TP53MAPTTHRBTSHR
SCHEMBL21447098 0.88 SMN1; SMN2 (0.55) SMN1; SMN2TP53MAPTTHRBTSHR
SCHEMBL17068786 0.88 SMN1; SMN2 (0.57) SMN1; SMN2TP53MAPTTHRBTSHR
SCHEMBL21434675 0.87 SMN1; SMN2 (0.69) SMN1; SMN2TP53MAPTTHRBTSHR
SCHEMBL21434739 0.86 TP53 (0.68) SMN1; SMN2TP53MAPTTHRBTSHR
SCHEMBL17068785 0.86 SMN1; SMN2 (0.64) SMN1; SMN2TP53MAPTTHRBTSHR
SCHEMBL21434766 0.86 SMN1; SMN2 (0.64) SMN1; SMN2TP53MAPTTHRBTSHR

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
EP-3116502-A1 METHODS AND COMPOSITIONS FOR INHIBITING RHO/MRTF-MEDIATED DISEASES AND CONDITIONS The Regents Of The University Of Michigan (US) 2017-01-18 EP disclosed
WO-2015138326-A1 METHODS AND COMPOSITIONS FOR INHIBITING RHO/MRTF-MEDIATED DISEASES AND CONDITIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2015-09-17 WO disclosed
US-20150250769-A1 METHODS AND COMPOSITIONS FOR INHIBITING RHO/MRTF-MEDIATED DISEASES AND CONDITIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2015-09-10 US disclosed
US-20150250769-A1 METHODS AND COMPOSITIONS FOR INHIBITING RHO/MRTF-MEDIATED DISEASES AND CONDITIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2015-09-10 US disclosed
US-20150250769-A1 METHODS AND COMPOSITIONS FOR INHIBITING RHO/MRTF-MEDIATED DISEASES AND CONDITIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2015-09-10 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-20150250769-A1 METHODS AND COMPOSITIONS FOR INHIBITING RHO/MRTF-MEDIATED DISEASES AND CONDITIONS RHOA, ARHGEF1, ARHGEF2 SMN1; SMN2 3070/4885TP53 1126/4885MAPT 2418/4885

“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.