SCHEMBL29338391

SCHEMBL29338391

N#Cc1cccc(Oc2ccc3[nH]cnc3c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 1/20 0.43
▸ PDE4A P27815 1/20 0.41
▸ PDE4B Q07343 1/20 0.41
▸ PDE4C Q08493 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ CHEK2 O96017 1/20 0.41
▸ SLC6A2 P23975 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ CSNK1A1 P48729 1/20 0.40
▸ CSNK1D P48730 1/20 0.40
▸ GRIN1 Q05586 1/20 0.39
▸ GRIN2B Q13224 1/20 0.39
▸ CYP19A1 P11511 1/20 0.39
▸ EGFR P00533 1/20 0.39
▸ ERBB2 P04626 1/20 0.39
▸ ERBB3 P21860 1/20 0.39
▸ ERBB4 Q15303 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ GRIA2 P42262 1/20 0.38

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
SCHEMBL1799379 0.81 QPCTL (0.45) MMP12
SCHEMBL10720 0.78 IMPDH2 (0.47) —
Hydrochloric Acid SCHEMBL3671410 0.77 IMPDH2 (0.46) —
SCHEMBL10923033 0.77 PDE4A (0.55) MAP4K4PDE4APDE4BPDE4CPDE4D
SCHEMBL8379001 0.76 PDE4A (0.54) MAP4K4PDE4APDE4BPDE4CPDE4D
SCHEMBL31176949 0.76 F10 (0.52) —
SCHEMBL4604506 0.75 MMP12 (0.42) MMP12
SCHEMBL27839327 0.75 PDE4A (0.53) MAP4K4PDE4APDE4BPDE4CPDE4D
SCHEMBL31176754 0.74 IMPDH2 (0.61) MAP4K4PDE4APDE4BPDE4CPDE4D
SCHEMBL7013286 0.73 PRKCI (0.51) MMP12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239784-A1 INDOLE COMPOUNDS AND METHODS OF USE GENZYME CORPORATION 2024-07-18 — — 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 (1 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-20240239784-A1 INDOLE COMPOUNDS AND METHODS OF USE CFTR, INMT, IDO1 MAP4K4 4447/4885PDE4A 285/4885PDE4B 213/4885

“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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