SCHEMBL20066434

SCHEMBL20066434

COc1cc(C(N)=O)cc(N)c1NC/C=C/CNc1c(OCCCN2CCOCC2)cc(C(N)=O)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
NPC1 O15118 2/20 0.47
ALDH1A1 P00352 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
STING1 Q86WV6 5/20 0.47
CYP2D6 P10635 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 4/20 0.44
MAPT P10636 2/20 0.44
CYP2C9 P11712 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KMT2A Q03164 2/20 0.40
TSHR P16473 1/20 0.39

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
SCHEMBL19436545 0.96 KDM4E (0.52) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL19436543 0.96 KDM4E (0.52) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL29626051 0.96 KDM4E (0.52) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL28414327 0.93 STING1 (0.52) KDM4EALDH1A1SMN1; SMN2STING1CYP2D6
SCHEMBL19451497 0.93 STING1 (0.52) KDM4EALDH1A1SMN1; SMN2STING1CYP2D6
SCHEMBL19436485 0.92 KDM4E (0.56) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL19451647 0.92 KDM4E (0.56) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL22571859 0.90 STING1 (0.50) KDM4ESMN1; SMN2STING1CYP2D6LMNA
SCHEMBL31016375 0.89 STING1 (0.49) KDM4ESMN1; SMN2STING1CYP2D6LMNA
SCHEMBL24465478 0.88 KDM4E (0.53) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2

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-20200330556-A1 Methods for Administering STING Agonists GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-10-22 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-20200330556-A1 Methods for Administering STING Agonists STING1, CGAS, TLR9 KDM4E 3457/4885NPC1 655/4885ALDH1A1 4653/4885
US-20180105514-A1 HETEROCYCLIC AMIDES USEFUL AS PROTEIN MODULATORS RB1, RBBP5, RCC2 KDM4E 2480/4885NPC1 4662/4885ALDH1A1 3511/4885

“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.