SCHEMBL1496889

SCHEMBL1496889

CN(C)CCN(Cc1ccccc1)C(=O)Nc1ccc2c(c1)CCC2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
LMNA P02545 2/20 0.52
MAPT P10636 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ATM Q13315 1/20 0.52
UBE2M P61081 1/20 0.51
DCUN1D1 Q96GG9 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
TP53 P04637 1/20 0.50
GAA P10253 1/20 0.50
NFKB1 P19838 1/20 0.50
HTT P42858 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
ALDH1A1 P00352 3/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ROCK2 O75116 4/20 0.48

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
SCHEMBL1482531 0.90 RXRB (0.56) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL1482676 0.89 KMT2A (0.47) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL2474631 0.84 HDAC1 (0.50) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL12051789 0.83 NPC1 (0.48) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL3835627 0.79 RXRB (0.52) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL1482523 0.79 RAB9A (0.44) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL3836379 0.79 HDAC1 (0.50) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL3832830 0.78 RAB9A (0.47) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL9915278 0.78 NPC1 (0.43) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL2499132 0.78 HDAC1 (0.48) NPC1RAB9AMEN1KMT2ALMNA

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-20120202808-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-08-09 US disclosed
EP-2292611-B1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE SANTEN PHARMACEUTICAL CO LTD (JP) 2012-07-25 EP disclosed
EP-2292611-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE Santen Pharmaceutical Co., Ltd (JP) 2011-03-09 EP 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-20120202808-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE CBR1, NAT1, PRMT1 NPC1 2376/4885RAB9A 2610/4885MEN1 2127/4885

“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.