SCHEMBL18680934

SCHEMBL18680934

CC(C)(C)Cn1cc(C(N)=O)nn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.50
CA5A P35218 1/20 0.50
ADORA3 P0DMS8 2/20 0.43
ADRA1D P25100 1/20 0.37
SMYD3 Q9H7B4 1/20 0.36
NOTUM Q6P988 1/20 0.36
NNMT P40261 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
ADORA2A P29274 2/20 0.35
ADORA1 P30542 2/20 0.35
NR1H4 Q96RI1 1/20 0.35
TGM2 P21980 1/20 0.33
GRM2 Q14416 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GPR88 Q9GZN0 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32

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
SCHEMBL20615682 0.84 DPP4 (0.40) SCDCA5AADORA3NOTUMALDH1A1
SCHEMBL18680932 0.80 SCD (0.54) SCDCA5ASMYD3NOTUMNNMT
SCHEMBL12197531 0.80 MGAM (0.45) NOTUMALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL10642640 0.77 SCD (0.54) SCDCA5ASMYD3NOTUMNNMT
SCHEMBL29889259 0.73 SCD (0.48) SCDCA5ASMYD3NNMTALDH1A1
SCHEMBL23476729 0.73 CA5A (0.43) SCDCA5AADORA3NOTUMNNMT
SCHEMBL16263166 0.73 AR (0.41) JAK2JAK1JAK3
SCHEMBL28248990 0.72 CA5A (0.54) SCDCA5ASMYD3
SCHEMBL17275482 0.72 SCD (0.47) SCDCA5ASMYD3ALDH1A1LMNA
SCHEMBL17275479 0.72 SCD (0.47) SCDCA5ASMYD3ALDH1A1LMNA

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-10392422-B2 Macrocyclic broad spectrum antibiotics RQX PHARMACEUTICALS, INC. (US) 2019-08-27 US disclosed
US-10351595-B2 2019-07-16 US disclosed
US-20170088582-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS, INC. (US) 2017-03-30 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 (3 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-10351595-B2 MRPL21, PRSS1, PEPD SCD 1272/4885CA5A 3897/4885ADORA3 4746/4885
US-10392422-B2 Macrocyclic broad spectrum antibiotics MRPL21, PEPD, CTSC SCD 1558/4885CA5A 4391/4885ADORA3 4759/4885
US-20170088582-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC SCD 1558/4885CA5A 4391/4885ADORA3 4759/4885

“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.