SCHEMBL6515580

SCHEMBL6515580

Cc1ccc(C2=NCCO2)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
TP53 P04637 4/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
MAPT P10636 4/20 0.35
GAA P10253 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
HDAC8 Q9BY41 2/20 0.34
HSP90AB1 P08238 1/20 0.34

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
SCHEMBL4500247 0.83 SMN1; SMN2 (0.38) LMNAHPGDSMN1; SMN2NPC1RAB9A
SCHEMBL25211116 0.83 SMN1; SMN2 (0.38) LMNAALDH1A1HSD17B10SMN1; SMN2NPC1
SCHEMBL13393366 0.83 NISCH (0.40) LMNASMN1; SMN2PDE3BPDE3AHDAC8
SCHEMBL9668468 0.83 ESR2 (0.47) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL15088368 0.80 ADRA2A (0.40) SMN1; SMN2HDAC8ADRA2AADRA1ACYP1A2
SCHEMBL1842317 0.78 SMN1; SMN2 (0.48) ALDH1A1HPGDHSD17B10SMN1; SMN2NPC1
SCHEMBL15706601 0.76 NISCH (0.36) SMN1; SMN2PDE3BPDE3A
Bromide SCHEMBL5635020 0.75 SMN1; SMN2 (0.46) ALDH1A1HPGDHSD17B10SMN1; SMN2NPC1
SCHEMBL4044503 0.75 SMN1; SMN2 (0.35) ALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL10339321 0.74 SMN1; SMN2 (0.41) SMN1; SMN2ADRA2A

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-20100087382-A1 Inhibitors of Hepatitis C NS3 Protease BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-08 US disclosed
US-20050142413-A1 Separator for fuel cell, method for producing the same, and fuel cell using the same SANSHO KAKOU CO., LTD. (JP) 2005-06-30 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-20100087382-A1 Inhibitors of Hepatitis C NS3 Protease RNASE1, GTF3C3, CTRL LMNA 2842/4885TP53 705/4885ALDH1A1 939/4885

“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.