SCHEMBL10272898

SCHEMBL10272898

CCCc1cccc(C(=O)N2CCOCC2)c1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.65
NPC1 O15118 1/20 0.65
TP53 P04637 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
NPSR1 Q6W5P4 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.59
ALDH1A1 P00352 1/20 0.58
HPGD P15428 3/20 0.54
KDM4E B2RXH2 1/20 0.54
TSHR P16473 2/20 0.53
RECQL P46063 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
HSD17B10 Q99714 1/20 0.53
PARP1 P09874 1/20 0.53
MGLL Q99685 1/20 0.51

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
SCHEMBL12736229 0.90 TP53 (0.58) RAB9ANPC1TP53SMN1; SMN2NPSR1
SCHEMBL7901271 0.89 RAB9A (0.67) RAB9ANPC1TP53SMN1; SMN2NPSR1
SCHEMBL27561722 0.86 NPC1 (0.61) RAB9ANPC1TP53SMN1; SMN2NPSR1
SCHEMBL9472983 0.86 RAB9A (0.61) RAB9ANPC1TP53SMN1; SMN2NPSR1
SCHEMBL1696388 0.86 NPC1 (0.63) RAB9ANPC1TP53SMN1; SMN2ALDH1A1
SCHEMBL10223965 0.85 RAB9A (0.60) RAB9ANPC1TP53SMN1; SMN2NPSR1
SCHEMBL13657383 0.84 SMN1; SMN2 (0.56) RAB9ANPC1TP53SMN1; SMN2L3MBTL1
SCHEMBL19070392 0.84 ALDH1A1 (0.62) RAB9ANPC1TP53SMN1; SMN2NPSR1
SCHEMBL13657385 0.83 PARP1 (0.58) RAB9ANPC1TP53SMN1; SMN2L3MBTL1
SCHEMBL18901286 0.83 ALDH1A1 (0.61) RAB9ANPC1TP53SMN1; SMN2NPSR1

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
US-20160152628-A1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-06-02 US disclosed
US-8148367-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-03 US disclosed
US-20100105665-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 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 (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-20100105665-A1 RENIN INHIBITORS REN, ACE, AGT RAB9A 559/4885NPC1 1955/4885TP53 4768/4885
US-20160152628-A1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS MYLK, MYLK2, ROCK1 RAB9A 1385/4885NPC1 4667/4885TP53 3384/4885

“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.