SCHEMBL2256804

SCHEMBL2256804

CC(C)[C@@H](CNO)NC(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.57
NPC1 O15118 3/20 0.57
HPGDS O60760 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 3/20 0.50
PDCD1 Q15116 1/20 0.50
CD274 Q9NZQ7 1/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
ALOX12 P18054 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CTSB P07858 3/20 0.49
ROCK2 O75116 1/20 0.48
RPS6KA5 O75582 1/20 0.48
MAP4K4 O95819 1/20 0.48
CDK1 P06493 1/20 0.48
CSF1R P07333 1/20 0.48
PRKACA P17612 1/20 0.48

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
SCHEMBL14195928 0.86 TAS1R3 (0.51) RAB9ANPC1ALDH1A1LMNATDP1
SCHEMBL15359194 0.78 RAB9A (0.58) RAB9ANPC1HPGDSSMN1; SMN2ALDH1A1
SCHEMBL4067128 0.77 ALDH1A1 (0.71) RAB9ANPC1HPGDSSMN1; SMN2ALDH1A1
SCHEMBL23791945 0.77 ADRB2 (0.50) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL1109114 0.76 NPC1 (0.53) RAB9ANPC1HPGDSSMN1; SMN2ALDH1A1
SCHEMBL402511 0.76 TAS1R3 (0.50) RAB9ANPC1ALDH1A1LMNATDP1
SCHEMBL402486 0.76 CTSB (0.48) RAB9ANPC1SMN1; SMN2PDCD1CD274
SCHEMBL1750357 0.75 DGAT1 (0.62) RAB9ANPC1HPGDSALDH1A1LMNA
SCHEMBL4760256 0.75 DGAT1 (0.62) RAB9ANPC1HPGDSALDH1A1LMNA
SCHEMBL14195921 0.75 NPC1 (0.55) RAB9ANPC1HPGDSALDH1A1LMNA

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-8084615-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2011-12-27 US disclosed
US-7989660-B2 BACTERICIDE AGAINST GRAMNEGATIVE BACTERIA; RESPIARATORY SYSTEM DISORDERS NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2011-08-02 US disclosed
US-20090163496-A1 ANTIBACTERIAL AGENTS UNIVERSITY OF WASHINGTON (US) 2009-06-25 US disclosed
US-20080269221-A1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-10-30 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 (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-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS RAB9A 557/4885NPC1 371/4885HPGDS 253/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS RAB9A 557/4885NPC1 371/4885HPGDS 253/4885

“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.