SCHEMBL21407947

SCHEMBL21407947

CC(C)(C)OC(=O)N(CC(=O)O)c1c(Cl)cc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ FBP1 P09467 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ GPR55 Q9Y2T6 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ NR1D1 P20393 1/20 0.31
▸ NR1H3 Q13133 1/20 0.31
▸ CA12 O43570 1/20 0.31

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
SCHEMBL19783049 0.90 PDGFRB (0.34) LMNAALDH1A1MAPK1SMN1; SMN2CYP1A2
SCHEMBL21379373 0.83 PKM (0.35) LMNAALDH1A1MAPK1SMN1; SMN2CYP1A2
SCHEMBL21874611 0.83 LMNA (0.32) LMNAALDH1A1MAPK1CYP1A2CYP3A4
SCHEMBL25174512 0.82 KMT2A (0.34) LMNAALDH1A1MAPK1SMN1; SMN2FBP1
SCHEMBL21407959 0.81 GPR35 (0.35) LMNAALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL28723913 0.81 CYP1A2 (0.45) ALDH1A1SMN1; SMN2CYP1A2MAPTNR1D1
SCHEMBL28724510 0.80 KCNH2 (0.32) ALDH1A1MAPTNPSR1
SCHEMBL21379483 0.76 GPR35 (0.35) LMNAALDH1A1MAPK1SMN1; SMN2MAPT
SCHEMBL21942179 0.75 LMNA (0.36) LMNAMAPK1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL9379539 0.73 L3MBTL1 (0.37) LMNAALDH1A1HTTNPSR1NR1D1

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
CN-109689664-B Tricyclic heteroaryl substituted quinoline and azaquinoline compounds as PAR4 inhibitors 百时美施贵宝公司 2022-04-15 — — CN disclosed
US-10730868-B2 Bicyclic heteroaryl substituted compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-04 — — US disclosed
US-20190300520-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2019-10-03 — — 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-10730868-B2 Bicyclic heteroaryl substituted compounds F2, PF4, F2RL3 LMNA 702/4885ALDH1A1 1904/4885MAPK1 1919/4885
US-20190300520-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS PF4, F2, F2RL3 LMNA 692/4885ALDH1A1 1537/4885MAPK1 1775/4885

“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.

Send feedback