SCHEMBL4833769

SCHEMBL4833769

COc1ccc(CCNC(=O)c2cc3ccccc3cc2O)cc1Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
CASP1 P29466 1/20 0.53
CASP7 P55210 1/20 0.53
NAMPT P43490 2/20 0.52
PKM P14618 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
ADORA2A P29274 1/20 0.52
ADORA2B P29275 1/20 0.52
THRA P10827 3/20 0.51
THRB P10828 3/20 0.51
DNMT3A Q9Y6K1 1/20 0.49
TP53 P04637 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48
SIRT1 Q96EB6 1/20 0.48
LMNA P02545 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
SCHEMBL25474382 0.83 KMT2A (0.62) MAPTKDM4EALDH1A1CASP1CASP7
SCHEMBL4829844 0.82 KDM4E (0.55) MAPTKDM4EALDH1A1CASP1CASP7
SCHEMBL4829684 0.81 KDM4E (0.63) MAPTKDM4EALDH1A1CASP1CASP7
SCHEMBL25474228 0.78 MAPT (0.63) MAPTKDM4EALDH1A1CASP1CASP7
SCHEMBL4831601 0.78 MAPT (0.56) MAPTKDM4EALDH1A1CASP1CASP7
SCHEMBL31481559 0.78 MAPT (0.67) MAPTKDM4EALDH1A1CASP1CASP7
SCHEMBL27481085 0.78 MAPT (0.67) MAPTKDM4EALDH1A1CASP1CASP7
SCHEMBL11133405 0.78 MAPT (0.70) MAPTKDM4EALDH1A1CASP1CASP7
SCHEMBL1814229 0.78 CYP1A2 (0.62) MAPTALDH1A1NAMPTPKMMEN1
SCHEMBL22654014 0.77 SMN1; SMN2 (0.52) MAPTALDH1A1NAMPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7459472-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2008-12-02 US disclosed
US-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use VTVX HOLDINGS I LLC 2005-03-17 US disclosed
WO-2005014534-A1 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-02-17 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-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use CYP2F1, CYP3A43, PNPO MAPT 3605/4885KDM4E 1963/4885ALDH1A1 711/4885

“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.