Imidocarb

Imidocarb

SCHEMBL1142887

O=C(Nc1cccc(C2=NCCN2)c1)Nc1cccc(C2=NCCN2)c1.[Cl-].[Cl-].[H+].[H+]

nearest known ligand 0.97

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of Imidocarb. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ACHE known ✓ P22303 1/20 0.97
▸ UBE2N P61088 1/20 0.81
▸ PAX8 Q06710 1/20 0.81
▸ LMNA P02545 1/20 0.81
▸ FDPS P14324 1/20 0.72
▸ NISCH Q9Y2I1 7/20 0.55
▸ PPARG P37231 1/20 0.53
▸ MGLL Q99685 1/20 0.51
▸ MAOB P27338 1/20 0.51
▸ CNR1 P21554 2/20 0.49
▸ RUVBL1 Q9Y265 1/20 0.48
▸ PRMT1 Q99873 1/20 0.48

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
Imidocarb SCHEMBL29504223 0.99 ACHE (1.00) ACHEUBE2NPAX8LMNAFDPS
Imidocarb SCHEMBL8019509 0.99 ACHE (1.00) ACHEUBE2NPAX8LMNAFDPS
Imidocarb SCHEMBL203921 0.99 ACHE (1.00) ACHEUBE2NPAX8LMNAFDPS
Imidocarb SCHEMBL27988892 0.97 ACHE (0.97) ACHEUBE2NPAX8LMNAFDPS
Imidocarb SCHEMBL635410 0.97 ACHE (0.97) ACHEUBE2NPAX8LMNAFDPS
Imidocarb SCHEMBL1653266 0.97 ACHE (0.97) ACHEUBE2NPAX8LMNAFDPS
SCHEMBL17086987 0.97 ACHE (0.97) ACHEUBE2NPAX8LMNAFDPS
SCHEMBL12869957 0.96 ACHE (0.94) ACHEUBE2NPAX8LMNAFDPS
SCHEMBL16275222 0.94 ACHE (0.92) ACHEUBE2NPAX8LMNAFDPS
Hydrochloric Acid SCHEMBL1143126 0.94 ACHE (0.92) ACHEUBE2NPAX8LMNAFDPS

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-8716283-B2 Type III secretion inhibitors, analogs and uses thereof UNIVERSITY OF MASSACHUSETTS (US) 2014-05-06 — — US disclosed
US-20110034463-A1 TYPE III SECRETION INHIBITORS, ANALOGS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-02-10 — — 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-20110034463-A1 TYPE III SECRETION INHIBITORS, ANALOGS AND USES THEREOF GBA3, CLPP, PEX3 ACHE 3562/4885UBE2N 2586/4885PAX8 4319/4885

“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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