SCHEMBL18680932

SCHEMBL18680932

CCn1cc(C(N)=O)nn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.54
CA5A P35218 1/20 0.54
KDM4E B2RXH2 2/20 0.42
KDM5C P41229 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
KDM2A Q9Y2K7 1/20 0.42
KDM3A Q9Y4C1 1/20 0.42
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
SMYD3 Q9H7B4 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GLA P06280 1/20 0.37
NPC1 O15118 1/20 0.37
MAPK1 P28482 1/20 0.36
TGM2 P21980 1/20 0.36
NOTUM Q6P988 1/20 0.35
NNMT P40261 1/20 0.35
GRM2 Q14416 1/20 0.34
CCNK O75909 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
SCHEMBL6072289 0.82 ALDH1A1 (0.45) SCDCA5AKDM4EKDM5CKDM4C
SCHEMBL10642640 0.81 SCD (0.54) SCDCA5AALDH1A1LMNASMYD3
SCHEMBL12417866 0.81 KDM4E (0.42) SCDCA5AKDM4EKDM5CKDM4C
SCHEMBL18680934 0.80 SCD (0.50) SCDCA5AALDH1A1LMNASMYD3
SCHEMBL12418868 0.78 KDM4E (0.40) SCDCA5AKDM4EKDM5CKDM4C
SCHEMBL19450894 0.78 GLS (0.45) KDM4EKDM5CKDM4CKDM2AKDM3A
SCHEMBL7424494 0.78 ALDH1A1 (0.49) KDM4EKDM5CKDM4CKDM2AKDM3A
SCHEMBL29889259 0.78 SCD (0.48) SCDCA5AALDH1A1LMNASMYD3
SCHEMBL16093587 0.77 ALDH1A1 (0.67) ALDH1A1LMNAHPGDSMN1; SMN2GLA
SCHEMBL28248990 0.77 CA5A (0.54) SCDCA5ASMYD3

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-11186606-B2 Compositions and methods of modulating the immune response by activating alpha protein kinase 1 SHANGHAI YAO YUAN BIOTECHNOLOGY CO., LTD. (CN) 2021-11-30 US disclosed
US-20200283468-A1 COMPOSITIONS AND METHODS OF MODULATING THE IMMUNE RESPONSE BY ACTIVATING ALPHA PROTEIN KINASE 1 LUMINEX INTERNATIONAL (CN) 2020-09-10 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-11186606-B2 Compositions and methods of modulating the immune response by activating alpha protein kinase 1 PHKA1, PHKA2, PRKCA SCD 4314/4885CA5A 3927/4885KDM4E 3885/4885
US-20200283468-A1 COMPOSITIONS AND METHODS OF MODULATING THE IMMUNE RESPONSE BY ACTIVATING ALPHA PROTEIN KINASE 1 PHKA1, PHKA2, PRKCA SCD 4314/4885CA5A 3927/4885KDM4E 3885/4885
US-20170088582-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC SCD 1558/4885CA5A 4391/4885KDM4E 1763/4885

“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.