SCHEMBL17068773

SCHEMBL17068773

COc1c(Cl)ccc(-c2nnc(SCCC(C)=O)o2)c1Cl

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
TP53 P04637 2/20 0.53
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 4/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 2/20 0.43
ALOX15 P16050 2/20 0.43
NPC1 O15118 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GLA P06280 2/20 0.41
USP2 O75604 1/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL17063572 0.91 TP53 (0.65) SMN1; SMN2TP53TSHRHSD17B10ALDH1A1
SCHEMBL17078196 0.86 TP53 (0.59) SMN1; SMN2TP53TSHRHSD17B10ALDH1A1
SCHEMBL17078198 0.84 TP53 (0.47) SMN1; SMN2TP53TSHRHSD17B10ALDH1A1
SCHEMBL17068771 0.83 SMN1; SMN2 (0.60) SMN1; SMN2TP53TSHRHSD17B10ALDH1A1
SCHEMBL17068770 0.81 SMN1; SMN2 (0.60) SMN1; SMN2TP53TSHRHSD17B10ALDH1A1
SCHEMBL17068785 0.79 SMN1; SMN2 (0.64) SMN1; SMN2TP53TSHRHSD17B10ALDH1A1
SCHEMBL17068782 0.78 SMN1; SMN2 (0.63) SMN1; SMN2TP53TSHRHSD17B10ALDH1A1
SCHEMBL17068784 0.77 MAPT (0.53) SMN1; SMN2TP53TSHRALDH1A1LMNA
SCHEMBL17068781 0.76 TP53 (0.51) SMN1; SMN2TP53TSHRHSD17B10ALDH1A1
SCHEMBL17063588 0.74 SMN1; SMN2 (0.73) SMN1; SMN2TP53TSHRHSD17B10ALDH1A1

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-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 1126/4885TSHR 3043/4885

“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.