SCHEMBL2188968

SCHEMBL2188968

CC(=O)c1ccc(Nc2ccc(F)c(Br)c2)c([N+](=O)[O-])c1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
ALDH1A1 P00352 1/20 0.53
ATM Q13315 1/20 0.53
KMT2A Q03164 6/20 0.51
MEN1 O00255 5/20 0.51
MAPT P10636 5/20 0.50
HCAR3 P49019 1/20 0.50
HTT P42858 1/20 0.49
AKR1C3 P42330 4/20 0.48
AKR1C2 P52895 4/20 0.48
HPGD P15428 2/20 0.47
GAA P10253 1/20 0.47
ALDH3A1 P30838 1/20 0.46

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
SCHEMBL2335018 0.88 MAPT (0.54) LMNASMN1; SMN2ALDH1A1ATMKMT2A
SCHEMBL121987 0.84 LMNA (0.61) LMNASMN1; SMN2ALDH1A1ATMKMT2A
SCHEMBL1668165 0.81 HCAR3 (0.59) LMNASMN1; SMN2ALDH1A1ATMKMT2A
SCHEMBL2669581 0.80 EPAS1 (0.49) LMNASMN1; SMN2ALDH1A1ATMKMT2A
SCHEMBL6872381 0.80 GAA (0.60) SMN1; SMN2ALDH1A1KMT2AMEN1MAPT
SCHEMBL12222394 0.79 KMT2A (0.50) LMNASMN1; SMN2ALDH1A1ATMKMT2A
SCHEMBL11341363 0.78 HCAR3 (0.79) LMNASMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL1668970 0.78 EPAS1 (0.59) LMNASMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL13002357 0.77 AKR1C3 (0.63) LMNASMN1; SMN2ALDH1A1ATMKMT2A
SCHEMBL9157 0.76 ITGB1 (0.57) LMNASMN1; SMN2ALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8278460-B2 Substituted benzimidazoles CONCERT PHARMACEUTICALS, INC. (US) 2012-10-02 US disclosed
US-8278460-B2 Substituted benzimidazoles CONCERT PHARMACEUTICALS, INC. (US) 2012-10-02 US disclosed
US-8278460-B2 Substituted benzimidazoles CONCERT PHARMACEUTICALS, INC. (US) 2012-10-02 US disclosed
US-20110257210-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2011-10-20 US disclosed
US-20110172280-A1 Substituted Benzimidazoles CONCERT PHARMACEUTICALS, INC. (US) 2011-07-14 US disclosed
US-20110172280-A1 Substituted Benzimidazoles CONCERT PHARMACEUTICALS, INC. (US) 2011-07-14 US disclosed
US-20110172280-A1 Substituted Benzimidazoles CONCERT PHARMACEUTICALS, INC. (US) 2011-07-14 US disclosed
WO-2011047315-A1 SUBSITITUTED BENZIMIDAZOLES CONCERT PHARMACEUTICALS, INC. (US) 2011-04-21 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-20110257210-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX GABRB2, GABRB1, GABRB3 LMNA 4276/4885SMN1; SMN2 3616/4885ALDH1A1 552/4885
US-20110172280-A1 Substituted Benzimidazoles GABRA5, GABRB1, GABRA4 LMNA 4096/4885SMN1; SMN2 1653/4885ALDH1A1 151/4885

“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.