SCHEMBL7571867

SCHEMBL7571867

N=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.50
DEGS1 O15121 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PTGDR2 Q9Y5Y4 2/20 0.42
LMNA P02545 3/20 0.41
NAMPT P43490 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
TCF4 P15884 1/20 0.41
CTNNB1 P35222 1/20 0.41
FFAR1 O14842 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
MC4R P32245 1/20 0.39

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
SCHEMBL8202126 1.00 ACKR3 (0.50) ACKR3DEGS1SMN1; SMN2NPC1RAB9A
SCHEMBL13054544 0.92 ACKR3 (0.52) ACKR3DEGS1SMN1; SMN2NPC1RAB9A
SCHEMBL7569678 0.90 DEGS1 (0.49) DEGS1SMN1; SMN2NPC1RAB9ATDP1
SCHEMBL13054426 0.90 DEGS1 (0.49) DEGS1SMN1; SMN2NPC1RAB9ATDP1
SCHEMBL7566088 0.86 ACKR3 (0.46) ACKR3SMN1; SMN2NPC1RAB9AGAA
SCHEMBL7603617 0.84 SMN1; SMN2 (0.50) ACKR3SMN1; SMN2MEN1POLBKMT2A
SCHEMBL7565087 0.84 ACKR3 (0.50) ACKR3SMN1; SMN2ALDH1A1MEN1POLB
SCHEMBL7601748 0.82 KMT2A (0.49) LMNAMEN1POLBKMT2A
SCHEMBL7604873 0.81 KMT2A (0.51) SMN1; SMN2LMNAALDH1A1HTTMEN1
SCHEMBL7566803 0.81 KMT2A (0.46) ACKR3RAB9ALMNAALDH1A1MEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183252-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2012-05-22 US disclosed
US-8183252-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2012-05-22 US disclosed
US-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2010-11-18 US disclosed
US-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2010-11-18 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-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, PRSS1 ACKR3 1259/4885DEGS1 435/4885SMN1; SMN2 1261/4885

“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.