SCHEMBL2353155

SCHEMBL2353155

CC(=O)Nc1ccc(C(C)(C)C)cc1Br

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.56
CA1 P00915 4/20 0.55
CA2 P00918 4/20 0.55
CA9 Q16790 4/20 0.55
RXFP1 Q9HBX9 1/20 0.47
ALDH1A1 P00352 3/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
POLB P06746 1/20 0.43
HDAC1 Q13547 2/20 0.42
MEN1 O00255 1/20 0.41
RECQL P46063 1/20 0.41
KMT2A Q03164 1/20 0.41
ESR1 P03372 1/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 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
SCHEMBL30394742 1.00 MAPT (0.56) MAPTCA1CA2CA9RXFP1
SCHEMBL21879830 0.86 CA1 (0.47) MAPTCA1CA2CA9RXFP1
SCHEMBL18702896 0.86 MAPT (0.59) MAPTCA1CA2CA9ALDH1A1
SCHEMBL7966567 0.85 CYP1A2 (0.55) CA1CA2CA9RXFP1ALDH1A1
SCHEMBL4818370 0.83 MAPT (0.60) MAPTALDH1A1NPC1RAB9APOLB
SCHEMBL15604416 0.82 ESR1 (0.57) MAPTALDH1A1NPC1RAB9APOLB
SCHEMBL23972954 0.81 MAPT (0.54) MAPTCA1CA2ALDH1A1NPC1
SCHEMBL18593463 0.81 NPC1 (0.63) MAPTCA1CA2RXFP1ALDH1A1
SCHEMBL22103855 0.81 MAPT (0.51) MAPTCA1CA2ALDH1A1NPC1
SCHEMBL18703190 0.81 MAPT (0.57) MAPTRXFP1ALDH1A1NPC1RAB9A

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
CN-116063222-A Preparation method of 3, 6-di-tert-butylcarbazole 中钢集团南京新材料研究院有限公司 2023-05-05 CN disclosed
EP-2582680-A1 BIPHENYL SUBSTITUTED 1,3-DIHYDRO-BENZOIMIDAZOL-2-YLIDENEAMINE DERIVATIVES Novartis AG (CH) 2013-04-24 EP disclosed
US-20130090342-A1 BIPHENYL SUBSTITUTED 1,3-DIHYDRO-BENZOIMIDAZOL-2-YLIDENEAMINE DERIVATIVES NOVARTIS AG (CH) 2013-04-11 US disclosed
US-8232271-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-07-31 US disclosed
WO-2011157787-A1 BIPHENYL SUBSTITUTED 1,3-DIHYDRO-BENZOIMIDAZOL-2-YLIDENEAMINE DERIVATIVES NOVARTIS AG (CH) 2011-12-22 WO disclosed
CN-102186823-A Heterocyclic antiviral aryl pyridone derivatives HOFFMANN LA ROCHE 2011-09-14 CN disclosed
EP-2350007-A1 HETEROCYCLIC ANTIVIRAL ARYLPYRIDONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-08-03 EP disclosed
US-20100111900-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS ROCHE PALO ALTO LLC 2010-05-06 US disclosed
WO-2010049331-A1 HETEROCYCLIC ANTIVIRAL ARYLPYRIDONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-05-06 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-20130090342-A1 BIPHENYL SUBSTITUTED 1,3-DIHYDRO-BENZOIMIDAZOL-2-YLIDENEAMINE DERIVATIVES IGF1R, IGFBP1, IGFBP2 MAPT 2743/4885CA1 4882/4885CA2 4811/4885
US-20100111900-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS POLR2A, EIF2AK2, POLR2B MAPT 4442/4885CA1 4874/4885CA2 4835/4885

“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.