SCHEMBL17063604

SCHEMBL17063604

CC(CCCC(=O)O)Sc1nnc(-c2ccc(Cl)cc2Cl)o1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 9/20 0.64
TP53 P04637 5/20 0.64
NPC1 O15118 9/20 0.56
RAB9A P51151 9/20 0.56
CYP1A2 P05177 2/20 0.56
CYP2C19 P33261 2/20 0.56
HSD17B10 Q99714 3/20 0.56
HPGD P15428 7/20 0.54
ALDH1A1 P00352 6/20 0.54
ALOX15 P16050 3/20 0.54
MAPK1 P28482 2/20 0.54
TSHR P16473 3/20 0.52
L3MBTL1 Q9Y468 3/20 0.51
TDP1 Q9NUW8 1/20 0.51
NFKB1 P19838 2/20 0.47
NFKB2 Q00653 2/20 0.47
RELA Q04206 2/20 0.47
PKM P14618 2/20 0.44
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL17063599 0.94 SMN1; SMN2 (0.67) SMN1; SMN2TP53NPC1RAB9ACYP1A2
SCHEMBL17063608 0.81 SMN1; SMN2 (0.86) SMN1; SMN2TP53NPC1RAB9ACYP1A2
SCHEMBL17063593 0.80 SMN1; SMN2 (0.84) SMN1; SMN2TP53NPC1RAB9ACYP1A2
SCHEMBL17063579 0.78 SMN1; SMN2 (1.00) SMN1; SMN2TP53NPC1RAB9ACYP1A2
SCHEMBL17063603 0.77 SMN1; SMN2 (0.67) SMN1; SMN2TP53NPC1RAB9ACYP1A2
SCHEMBL17063597 0.76 SMN1; SMN2 (0.70) SMN1; SMN2TP53NPC1RAB9ACYP1A2
SCHEMBL17068783 0.76 SMN1; SMN2 (0.77) SMN1; SMN2TP53NPC1RAB9ACYP1A2
SCHEMBL17068804 0.75 SMN1; SMN2 (0.63) SMN1; SMN2TP53NPC1RAB9ACYP1A2
SCHEMBL17068774 0.73 SMN1; SMN2 (0.73) SMN1; SMN2TP53NPC1RAB9ACYP1A2
SCHEMBL21447051 0.73 NPC1 (1.00) SMN1; SMN2TP53NPC1RAB9ACYP1A2

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 3 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

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 1126/4885NPC1 954/4885

“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.