SCHEMBL4630662

SCHEMBL4630662

CCCCCCCNCc1ccc(F)cc1F

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 4/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ CHRM2 P08172 1/20 0.46
▸ HRH4 Q9H3N8 1/20 0.45
▸ HRH3 Q9Y5N1 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ CYP1A2 P05177 3/20 0.43
▸ CYP2D6 P10635 3/20 0.43
▸ CYP2C19 P33261 3/20 0.43
▸ MPO P05164 2/20 0.42
▸ GRIN1 Q05586 1/20 0.41
▸ GRIN2A Q12879 1/20 0.41

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
SCHEMBL9156094 1.00 ACHE (0.56) ACHESMN1; SMN2MEN1KMT2ACHRM2
Hydrochloric Acid SCHEMBL3963988 0.98 ACHE (0.55) ACHESMN1; SMN2MEN1KMT2ACHRM2
Hydrochloric Acid SCHEMBL3964021 0.98 ACHE (0.55) ACHESMN1; SMN2MEN1KMT2ACHRM2
Hydrochloric Acid SCHEMBL3963138 0.98 ACHE (0.55) ACHESMN1; SMN2MEN1KMT2ACHRM2
SCHEMBL13975424 0.93 ACHE (0.52) ACHESMN1; SMN2MEN1KMT2ACHRM2
SCHEMBL4630473 0.86 ACHE (0.48) ACHESMN1; SMN2MPO
SCHEMBL16224920 0.86 SMN1; SMN2 (0.51) ACHESMN1; SMN2MEN1KMT2ACHRM2
SCHEMBL22332643 0.86 SMN1; SMN2 (0.51) ACHESMN1; SMN2MEN1KMT2ACHRM2
SCHEMBL14303982 0.81 ACHE (0.52) ACHESMN1; SMN2CHRM2MPO
SCHEMBL20354426 0.80 MEN1 (0.59) ACHESMN1; SMN2MEN1KMT2ACHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1517883-B8 ORTHO-SUBSTITUTED BENZOIC ACID DERIVATIVES FOR THE TREATMENT OF INSULIN RESISTANCE ASTRAZENECA AB (SE) 2008-05-21 — — EP disclosed
US-7355069-B2 Ortho-substituted benzoic acid derivatives for the treatment of insulin resistance ASTRAZENECA AB (SE) 2008-04-08 — — US disclosed
US-7351858-B2 Ortho-substituted benzoic acid derivatives for the treatment of insulin resistance ASTRAZENECA AB (SE) 2008-04-01 — — US disclosed
EP-1517679-B1 ORTHO-SUBSTITUTED BENZOIC ACID DERIVATIVES FOR THE TREATMENT OF INSULIN RESISTANCE ASTRAZENECA AB (SE) 2008-02-13 — — EP disclosed
EP-1517883-B1 ORTHO-SUBSTITUTED BENZOIC ACID DERIVATIVES FOR THE TREATMENT OF INSULIN RESISTANCE ASTRAZENECA AB (SE) 2008-02-13 — — EP disclosed
US-20050256198-A1 Ortho-substituted benzoic acid derivatives for the treatmetn of insulin resistance ASTRAZENECA AB (SE) 2005-11-17 — — US disclosed
US-20050222261-A1 Ortho-substituted benzoic acid derivatives for the treatment of insulin resistance ASTRAZENECA AB, R&D HEADQUARTERS, GLOBAL INTELLECTUAL PROPERTY PATENTS (SE) 2005-10-06 — — US disclosed
EP-1517883-A1 ORTHO-SUBSTITUTED BENZOIC ACID DERIVATIVES FOR THE TREATMENT OF INSULIN RESISTANCE AstraZeneca AB (SE) 2005-03-30 — — EP disclosed
WO-2004000790-A1 ORTHO-SUBSTITUTED BENZOIC ACID DERIVATIVES FOR THE TREATMENT OF INSULIN RESISTANCE ASTRAZENECA AB (SE) 2003-12-31 — — WO 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-20050222261-A1 Ortho-substituted benzoic acid derivatives for the treatment of insulin resistance INSR, GPR119, IRS1 ACHE 3839/4885SMN1; SMN2 2324/4885MEN1 1285/4885
US-20050256198-A1 Ortho-substituted benzoic acid derivatives for the treatmetn of insulin resistance GPR119, INSR, IRS1 ACHE 4063/4885SMN1; SMN2 1355/4885MEN1 425/4885

“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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