SCHEMBL2979600

SCHEMBL2979600

O=[N+]([O-])c1cc(F)cc(N2CCCC2)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
POLB P06746 1/20 0.51
ALDH1A1 P00352 4/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 4/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.43
MAPK1 P28482 2/20 0.42
HTT P42858 1/20 0.42
PKM P14618 1/20 0.42
KMT2A Q03164 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
SCHEMBL1172041 0.85 POLB (0.51) MAPTPOLBALDH1A1CYP1A2CYP2C19
SCHEMBL4717711 0.85 SIRT6 (0.59) MAPTPOLBALDH1A1CYP1A2CYP2C19
SCHEMBL28720277 0.84 POLB (0.46) MAPTPOLBALDH1A1LMNAMAPK1
Hydrochloric Acid SCHEMBL3258109 0.84 ADRB1 (0.58) MAPTPOLBALDH1A1CYP1A2CYP2C19
SCHEMBL2561915 0.79 TDP1 (0.54) MAPTPOLBALDH1A1CYP2C19
SCHEMBL24269699 0.79 MAPT (0.54) MAPTALDH1A1CYP1A2CYP2C19L3MBTL1
SCHEMBL29547961 0.79 MAPT (0.54) MAPTALDH1A1CYP1A2CYP2C19L3MBTL1
SCHEMBL12325547 0.79 TSHR (0.57) MAPTALDH1A1CYP1A2CYP2C19L3MBTL1
SCHEMBL31248799 0.79 MAPT (0.54) MAPTALDH1A1CYP1A2CYP2C19L3MBTL1
SCHEMBL5598235 0.79 MAPT (0.59) MAPTPOLBALDH1A1CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772432-B2 Amidobenzamide derivatives which are useful as cytokine inhibitors ASTRAZENECA AB (SE) 2010-08-10 US disclosed
US-20050038081-A1 Amidobenzamide derivatives which are useful as cytokine inhibitors ASTRAZENECA 2005-02-17 US disclosed
US-6821965-B1 IMPORTANT IN DISEASE OR MEDICAL CONDITIONS SUCH AS INFLAMMATION AND IMMUNOREGULATION ASTERZENECA AB (SE) 2004-11-23 US disclosed
EP-1102743-A1 AMIDE DERIVATIVES WHICH ARE USEFUL AS CYTOKINE INHIBITORS AstraZeneca AB (SE) 2001-05-30 EP disclosed
WO-2000007980-A1 AMIDE DERIVATIVES WHICH ARE USEFUL AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2000-02-17 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 (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-20050038081-A1 Amidobenzamide derivatives which are useful as cytokine inhibitors IL6, IL6ST, IL2 MAPT 4659/4885POLB 2834/4885ALDH1A1 293/4885

“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.