SCHEMBL855453

SCHEMBL855453

COc1ccc(CCN)cc1Br

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.70
ATM Q13315 1/20 0.70
TSHR P16473 2/20 0.64
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
NFKB1 P19838 1/20 0.64
LMNA P02545 2/20 0.62
MEN1 O00255 1/20 0.62
APEX1 P27695 1/20 0.62
KMT2A Q03164 1/20 0.62
TAAR1 Q96RJ0 4/20 0.61
MAPK1 P28482 1/20 0.61
GLA P06280 1/20 0.59
HTR2A P28223 2/20 0.56
HTR2C P28335 2/20 0.56
HTR2B P41595 1/20 0.52
CYP19A1 P11511 1/20 0.51
MAPT P10636 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
Bromide SCHEMBL8747092 0.98 KDM4E (0.68) KDM4EATMTSHRCYP1A2CYP3A4
SCHEMBL153912 0.85 KDM4E (0.70) KDM4EATMTSHRCYP1A2CYP3A4
SCHEMBL1364967 0.85 MAPT (0.54) KDM4EATMMEN1KMT2ATAAR1
SCHEMBL30413844 0.83 MAPT (0.53) KDM4EATMCYP1A2CYP3A4MEN1
SCHEMBL12844280 0.83 MAPT (0.53) KDM4EATMMEN1KMT2AMAPK1
Hydrochloric Acid SCHEMBL3401585 0.83 MAPT (0.53) KDM4EATMLMNAMEN1APEX1
SCHEMBL3792476 0.83 MAPT (0.53) KDM4EATMCYP1A2CYP3A4MEN1
SCHEMBL30983713 0.83 KDM4E (0.53) KDM4EATMTSHRCYP1A2CYP3A4
SCHEMBL29210582 0.83 KDM4E (0.53) KDM4EATMTSHRCYP1A2CYP3A4
SCHEMBL210639 0.82 ATM (1.00) KDM4EATMTSHRCYP1A2CYP3A4

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 167 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9833768-B2 Affinity reagents for protein purification IMPOSSIBLE FOODS INC. (US) 2017-12-05 US claimed
US-20170320041-A1 AFFINITY REAGENTS FOR PROTEIN PURIFICATION IMPOSSIBLE FOODS INC. 2017-11-09 US claimed
US-9737875-B2 Affinity reagents for protein purification IMPOSSIBLE FOODS INC. (US) 2017-08-22 US claimed
CN-104620104-B Affinity Reagents for Protein Purification 非凡食品有限公司 2017-03-01 CN claimed
EP-1904439-B1 SPHINGOSINE KINASE INHIBITORS APOGEE BIOTHECHNOLOGY CORP (US) 2014-11-26 EP claimed
EP-2205573-B1 TETRAZOLE-SUBSTITUTED ARYL AMIDE DERIVATIVES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2013-10-23 EP claimed
US-8557800-B2 Sphingosine kinase inhibitors APOGEE BIOTECHNOLOGY CORPORATION (US) 2013-10-15 US claimed
EP-2074089-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2013-09-18 EP claimed
US-8222248-B2 Organic compounds NOVARTIS AG (CH) 2012-07-17 US claimed
EP-2205573-A1 TETRAZOLE-SUBSTITUTED ARYL AMIDE DERIVATIVES AND USES THEREOF F. Hoffmann-Roche AG (CH) 2010-07-14 EP claimed
EP-2074089-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2009-07-01 EP claimed
WO-2009043780-A1 TETRAZOLE-SUBSTITUTED ARYL AMIDE DERIVATIVES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2009-04-09 WO claimed
EP-1928848-A2 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE Apogee Biothechnology Corporation (US) 2008-06-11 EP claimed
WO-2008048991-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2008-04-24 WO claimed
EP-1904439-A2 SPHINGOSINE KINASE INHIBITORS Apogee Biothechnology Corporation (US) 2008-04-02 EP claimed
WO-2007019251-A9 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORP (US) 2007-04-19 WO claimed
WO-2007019251-A2 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORPORATION (US) 2007-02-15 WO claimed
US-20070032531-A1 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORPORATION (US) 2007-02-08 US claimed
WO-2006138660-A2 SPHINGOSINE KINASE INHIBITORS APOGEE BIOTECHNOLOGY CORPORATION (US) 2006-12-28 WO claimed
US-20060287317-A1 SPHINGOSINE KINASE INHIBITORS APOGEE BIOTECHNOLOGY CORPORATION (US) 2006-12-21 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20060287317-A1 SPHINGOSINE KINASE INHIBITORS SPHK1, SPHK2, S1PR1 KDM4E 2438/4885ATM 1415/4885TSHR 4083/4885
US-20070032531-A1 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE SPHK1, SPHK2, S1PR2 KDM4E 1835/4885ATM 1526/4885TSHR 4420/4885
US-20170320041-A1 AFFINITY REAGENTS FOR PROTEIN PURIFICATION RAB5IF, MRPL21, RPS27A KDM4E 3795/4885ATM 2451/4885TSHR 3451/4885

“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.