SCHEMBL21973447

SCHEMBL21973447

O=C(Cl)c1nc2cc(-c3ccc(F)cc3)cc(-c3ccc(F)cc3)c2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 2/20 0.38
▸ CHUK O15111 2/20 0.38
▸ SCN9A Q15858 4/20 0.37
▸ CHEK2 O96017 1/20 0.37
▸ GRM2 Q14416 2/20 0.36
▸ NR4A2 P43354 1/20 0.36
▸ MAP4K4 O95819 1/20 0.36
▸ BTK Q06187 1/20 0.34
▸ MAPK14 Q16539 3/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ GCGR P47871 1/20 0.33
▸ DHODH Q02127 1/20 0.33
▸ BCL2L1 Q07817 1/20 0.33
▸ BAD Q92934 1/20 0.33

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
SCHEMBL20494983 0.88 NR4A2 (0.42) IKBKBCHUKSCN9ACHEK2GRM2
SCHEMBL21973179 0.84 RXRA (0.40) CHEK2NR4A2
SCHEMBL20494844 0.75 GCGR (0.33) IKBKBCHUKSCN9ACHEK2MAPK14
SCHEMBL21906383 0.74 RXRA (0.43) CHEK2NR4A2BCL2L1BAD
SCHEMBL21973145 0.72 SCN9A (0.34) SCN9ACHEK2
Hydrochloric Acid SCHEMBL20495025 0.72 SCN9A (0.34) SCN9ACHEK2
SCHEMBL20495249 0.69 S1PR1 (0.39) CHEK2NR4A2DHODHBCL2L1BAD
SCHEMBL20495333 0.66 NR4A2 (0.48) CHEK2NR4A2MAPK14RAB9ADHODH
SCHEMBL20494985 0.65 PIN1 (0.50) CHEK2GRM2NR4A2MAPK14GCGR
SCHEMBL21973456 0.63 PIN1 (0.59) CHEK2NR4A2BCL2L1BAD

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-11180459-B2 Bacterial efflux pump inhibitors RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2021-11-23 — — US disclosed
US-20200140393-A1 BACTERIAL EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERISTY OF NEW JERSEY (US) 2020-05-07 — — 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-11180459-B2 Bacterial efflux pump inhibitors ABCB11, ABCB1, SLC47A1 IKBKB 1276/4885CHUK 877/4885SCN9A 1528/4885
US-20200140393-A1 BACTERIAL EFFLUX PUMP INHIBITORS ABCB11, ABCB1, SLC47A1 IKBKB 1276/4885CHUK 877/4885SCN9A 1528/4885

“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.

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