SCHEMBL430974

SCHEMBL430974

Cc1cc2c(cn1)CCCC2=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAOA P21397 7/20 0.42
MAOB P27338 7/20 0.42
HTT P42858 1/20 0.42
CYP2A6 P11509 1/20 0.41
PRKCI P41743 1/20 0.41
PLK1 P53350 1/20 0.40
CSNK2A1 P68400 1/20 0.40
PLK3 Q9H4B4 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 1/20 0.39
BAZ2B Q9UIF8 1/20 0.37
HSD17B1 P14061 1/20 0.37
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL23088443 0.89 PBRM1 (0.46) HTTHSD17B1PBRM1
SCHEMBL19152973 0.85 MAOA (0.44) MEN1MAPK1KMT2ANPSR1MAOA
SCHEMBL426432 0.78 MAOA (0.44) MEN1MAPK1KMT2ANPSR1MAOA
SCHEMBL7230239 0.77 MAOA (0.43) MEN1MAPK1KMT2ANPSR1MAOA
SCHEMBL18237965 0.77 MEN1 (0.41) MEN1MAPK1KMT2ANPSR1MAOA
SCHEMBL19153590 0.76 PDE3B (0.32)
SCHEMBL11961582 0.76 NOS3 (0.50) MAPK1HTTCYP2A6NPC1RAB9A
SCHEMBL25768485 0.74 NOS3 (0.54) MEN1KMT2ACYP2A6NPC1RAB9A
SCHEMBL25771763 0.74 NOS3 (0.54) MEN1KMT2ACYP2A6NPC1RAB9A
SCHEMBL17190971 0.74 NOS3 (0.54) MEN1KMT2ACYP2A6NPC1RAB9A

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-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. 2017-07-20 US disclosed
US-20120065195-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. 2012-03-15 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-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT MEN1 380/4885MAPK1 4565/4885KMT2A 1005/4885
US-20120065195-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES APP, BACE1, PSEN1 MEN1 1819/4885MAPK1 1699/4885KMT2A 3951/4885

“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.