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SCHEMBL17445774

SCHEMBL17445774

CC(=O)/C=C/CNC(=O)c1c(C)n(C2CC2)c2ccc(C)cc12

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.44
▸ PLD2 O14939 1/20 0.33
▸ PLD1 Q13393 1/20 0.33
▸ MARK4 Q96L34 1/20 0.31
▸ P2RY12 Q9H244 1/20 0.31
▸ HPGD P15428 2/20 0.31
▸ KRAS P01116 1/20 0.31
▸ USP14 P54578 1/20 0.31
▸ NPC1 O15118 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ RORC P51449 1/20 0.31

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
SCHEMBL17445773 0.96 GAA (0.50) GAAPLD2PLD1USP14NPC1
SCHEMBL17445765 0.95 GAA (0.52) GAAUSP14NPC1RAB9AMEN1
SCHEMBL17445759 0.83 POLB (0.41) GAAHPGDNPC1MEN1KMT2A
SCHEMBL17438065 0.80 NPC1 (0.45) GAAHPGDNPC1RAB9AMEN1
SCHEMBL17445761 0.78 GAA (0.47) GAAPLD2PLD1HPGDKRAS
SCHEMBL17445769 0.77 KMT2A (0.56) GAAMARK4MEN1KMT2AKDM4E
SCHEMBL18596381 0.76 GAA (0.44) GAAHPGDNPC1RAB9AMEN1
SCHEMBL17447385 0.76 GAA (0.44) GAAHPGDNPC1RAB9AMEN1
SCHEMBL17445853 0.75 GAA (0.44) GAAHPGDUSP14NPC1RAB9A
SCHEMBL17438101 0.75 GAA (0.46) GAAHPGDUSP14NPC1RAB9A

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-20170152228-A1 SCREENING METHODS FOR THE BINDING AFFINITY OF CHEMICAL ENTITIES TO BIOLOGICAL MOLECULES AND NEDD4-1 INHIBITORS IDENTIFIED BY THE SCREENING METHODS NORTHWESTERN UNIVERSITY (US) 2017-06-01 — — US disclosed
US-9586890-B2 Screening methods for the binding affinity of chemical entities to biological molecules and NEDD4-1 inhibitors identified by the screening methods NORTHWESTERN UNIVERSITY (US) 2017-03-07 — — US disclosed
US-20160016893-A1 SCREENING METHODS FOR THE BINDING AFFINITY OF CHEMICAL ENTITIES TO BIOLOGICAL MOLECULES AND NEDD4-1 INHIBITORS IDENTIFIED BY THE SCREENING METHODS NORTHWESTERN UNIVERSITY (US) 2016-01-21 — — 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-20170152228-A1 SCREENING METHODS FOR THE BINDING AFFINITY OF CHEMICAL ENTITIES TO BIOLOGICAL MOLECULES AND NEDD4-1 INHIBITORS IDENTIFIED BY THE SCREENING METHODS NEDD4, STUB1, CUL1 GAA 1404/4885PLD2 2331/4885PLD1 976/4885
US-20160016893-A1 SCREENING METHODS FOR THE BINDING AFFINITY OF CHEMICAL ENTITIES TO BIOLOGICAL MOLECULES AND NEDD4-1 INHIBITORS IDENTIFIED BY THE SCREENING METHODS NEDD4, STUB1, UBQLN1 GAA 630/4885PLD2 1965/4885PLD1 852/4885

“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.