SCHEMBL17068804

SCHEMBL17068804

O=C(O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 9/20 0.63
NPC1 O15118 8/20 0.63
RAB9A P51151 8/20 0.63
L3MBTL1 Q9Y468 3/20 0.63
CYP1A2 P05177 2/20 0.63
CYP2C19 P33261 2/20 0.63
CYP2D6 P10635 1/20 0.63
CYP2C9 P11712 1/20 0.63
TP53 P04637 4/20 0.61
HPGD P15428 6/20 0.50
ALDH1A1 P00352 5/20 0.50
HSD17B10 Q99714 4/20 0.50
TSHR P16473 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
EGFR P00533 2/20 0.47
ERBB2 P04626 2/20 0.47
ALOX15 P16050 3/20 0.47
MAPK1 P28482 1/20 0.47
MAPT P10636 2/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL17068772 0.89 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9AL3MBTL1CYP1A2
SCHEMBL17063608 0.79 SMN1; SMN2 (0.86) SMN1; SMN2NPC1RAB9AL3MBTL1CYP1A2
SCHEMBL28284583 0.79 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9AL3MBTL1CYP1A2
SCHEMBL17063593 0.78 SMN1; SMN2 (0.84) SMN1; SMN2NPC1RAB9AL3MBTL1CYP1A2
SCHEMBL2640764 0.76 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9AL3MBTL1CYP1A2
SCHEMBL17063579 0.76 SMN1; SMN2 (1.00) SMN1; SMN2NPC1RAB9AL3MBTL1CYP1A2
SCHEMBL17063604 0.75 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9AL3MBTL1CYP1A2
SCHEMBL28767567 0.75 MAPT (0.50) SMN1; SMN2NPC1RAB9AL3MBTL1CYP1A2
SCHEMBL11475700 0.73 NPC1 (0.77) SMN1; SMN2NPC1RAB9AL3MBTL1CYP1A2
SCHEMBL17068783 0.73 SMN1; SMN2 (0.77) SMN1; SMN2NPC1RAB9AL3MBTL1CYP1A2

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 2 patents. 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
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 3070/4885NPC1 954/4885RAB9A 309/4885

“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.