SCHEMBL20075498

SCHEMBL20075498

NC(=O)c1cc(OCCCN2CCOCC2)c2c(c1)nc(N)n2-n1c(N)nc2cc(C(N)=O)cc(OCCCN3CCOCC3)c21

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 12/20 0.56
USP2 O75604 1/20 0.47
KDM4E B2RXH2 4/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
EPHX2 P34913 1/20 0.43

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
SCHEMBL19436532 0.87 STING1 (0.68) STING1
SCHEMBL22135066 0.87 STING1 (0.57) STING1USP2EPHX2
SCHEMBL28522082 0.86 STING1 (0.56) STING1USP2KDM4E
Bromide SCHEMBL23327843 0.86 STING1 (0.67) STING1
Bromide SCHEMBL29619902 0.86 STING1 (0.67) STING1
SCHEMBL22150070 0.83 STING1 (0.75) STING1
SCHEMBL22135067 0.81 STING1 (0.57) STING1KDM4EALDH1A1CYP2D6
SCHEMBL22312656 0.81 STING1 (0.62) STING1
SCHEMBL22150413 0.80 STING1 (0.49) STING1USP2KDM4ETDP1
Bromide SCHEMBL28599228 0.80 STING1 (0.49) STING1USP2KDM4ETDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10189820-B2 Heterocyclic amides useful as protein modulators GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-01-29 US disclosed
US-20180105514-A1 HETEROCYCLIC AMIDES USEFUL AS PROTEIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-04-19 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-10189820-B2 Heterocyclic amides useful as protein modulators RB1, RBBP5, RCC2 STING1 3127/4885USP2 701/4885KDM4E 2480/4885
US-20180105514-A1 HETEROCYCLIC AMIDES USEFUL AS PROTEIN MODULATORS RB1, RBBP5, RCC2 STING1 3127/4885USP2 701/4885KDM4E 2480/4885

“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.