SCHEMBL10025784

SCHEMBL10025784

CC1CC(=O)c2cnc(Nc3ccccc3)nc2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 1.00
ALDH1A1 P00352 4/20 1.00
NPC1 O15118 3/20 1.00
SMN1; SMN2 Q16637 2/20 1.00
KDM4E B2RXH2 2/20 1.00
HPGD P15428 2/20 1.00
GRM5 P41594 11/20 0.79
MAOB P27338 6/20 0.79
USP2 O75604 1/20 0.76
STAT1 P42224 1/20 0.74
NLRP3 Q96P20 1/20 0.70
MAOA P21397 3/20 0.64
KMT2A Q03164 1/20 0.62
MAPT P10636 1/20 0.58

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
SCHEMBL9955465 0.89 RAB9A (0.80) RAB9AALDH1A1NPC1SMN1; SMN2KDM4E
SCHEMBL10025793 0.87 GRM5 (0.80) RAB9AALDH1A1NPC1SMN1; SMN2KDM4E
SCHEMBL9956150 0.87 GRM5 (1.00) RAB9AALDH1A1NPC1SMN1; SMN2KDM4E
SCHEMBL9955087 0.87 GRM5 (0.80) RAB9AALDH1A1NPC1SMN1; SMN2KDM4E
SCHEMBL10025797 0.87 RAB9A (1.00) RAB9AALDH1A1NPC1SMN1; SMN2KDM4E
SCHEMBL9955883 0.86 RAB9A (0.78) RAB9AALDH1A1NPC1SMN1; SMN2KDM4E
SCHEMBL9956161 0.86 GRM5 (1.00) RAB9AALDH1A1NPC1SMN1; SMN2KDM4E
SCHEMBL10025794 0.85 RAB9A (1.00) RAB9AALDH1A1NPC1SMN1; SMN2KDM4E
SCHEMBL9956481 0.85 GRM5 (0.76) RAB9AALDH1A1NPC1SMN1; SMN2KDM4E
SCHEMBL9955979 0.84 GRM5 (0.76) RAB9AALDH1A1NPC1SMN1; SMN2KDM4E

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-8481459-B2 Chemical inhibitors of ethylene biosynthesis ACADEMIA SINICA (TW) 2013-07-09 US disclosed
US-8481459-B2 Chemical inhibitors of ethylene biosynthesis ACADEMIA SINICA (TW) 2013-07-09 US disclosed
US-20120023625-A1 CHEMICAL INHIBITORS OF ETHYLENE BIOSYNTHESIS ACADEMIA SINICA (TW) 2012-01-26 US disclosed
US-20120023625-A1 CHEMICAL INHIBITORS OF ETHYLENE BIOSYNTHESIS ACADEMIA SINICA (TW) 2012-01-26 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-20120023625-A1 CHEMICAL INHIBITORS OF ETHYLENE BIOSYNTHESIS COASY, ACACB, FDPS RAB9A 3997/4885ALDH1A1 535/4885NPC1 2317/4885

“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.