SCHEMBL2691345

SCHEMBL2691345

Cc1ccc2cc(Br)c(C=O)cc2c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 6/20 0.48
CYP1A2 P05177 3/20 0.48
ALDH1A1 P00352 4/20 0.47
PTPN1 P18031 1/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
PRKDC P78527 1/20 0.43
LMNA P02545 2/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SRC P12931 1/20 0.38
ERN1 O75460 1/20 0.35
NCK1 P16333 1/20 0.35
BACE1 P56817 1/20 0.35
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL14142666 0.81 CYP2A6 (0.48) CYP2A6CYP1A2ALDH1A1PTPN1KDM4E
SCHEMBL8149747 0.80 CYP1A2 (0.68) CYP2A6CYP1A2ALDH1A1PTPN1KDM4E
SCHEMBL29387108 0.78 ALDH1A1 (0.50) CYP2A6CYP1A2ALDH1A1KDM4EGAA
SCHEMBL135760 0.78 SRC (0.47) CYP2A6ALDH1A1KDM4EGAAPRKDC
SCHEMBL31540801 0.78 SRC (0.47) CYP2A6ALDH1A1KDM4EGAAPRKDC
SCHEMBL136361 0.78 ALDH1A1 (0.50) CYP2A6CYP1A2ALDH1A1KDM4EGAA
SCHEMBL15105262 0.78 LMNA (0.46) CYP2A6ALDH1A1GAAPRKDCLMNA
SCHEMBL16355662 0.78 CYP2A6 (0.48) CYP2A6CYP1A2ALDH1A1KDM4EGAA
SCHEMBL3573844 0.75 ALDH1A1 (0.45) CYP2A6CYP1A2ALDH1A1KDM4EGAA
SCHEMBL10680003 0.74 CYP1A2 (0.59) CYP2A6CYP1A2ALDH1A1PTPN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9334295-B2 Fused aromatic PTP-1B inhibitors KANEQ PHARMA INC. (CA) 2016-05-10 US disclosed
US-9334295-B2 Fused aromatic PTP-1B inhibitors KANEQ PHARMA INC. (CA) 2016-05-10 US disclosed
US-9334295-B2 Fused aromatic PTP-1B inhibitors KANEQ PHARMA INC. (CA) 2016-05-10 US disclosed
EP-2114971-B1 FUSED AROMATIC PTP-1B INHIBITORS KANEQ PHARMA INC (CA) 2015-06-17 EP disclosed
CN-102317296-B Fused aromatic PTP-1B inhibitors KANEQ PHARMA INC 2015-05-27 CN disclosed
US-20150045325-A1 FUSED AROMATIC PTP-1B INHIBITORS KANEQ PHARMA INC. (CA) 2015-02-12 US disclosed
US-20150045325-A1 FUSED AROMATIC PTP-1B INHIBITORS KANEQ PHARMA INC. (CA) 2015-02-12 US disclosed
US-20150045325-A1 FUSED AROMATIC PTP-1B INHIBITORS KANEQ PHARMA INC. (CA) 2015-02-12 US disclosed
US-8927526-B2 Fused aromatic PTP-1B inhibitors KANEQ PHARMA INC. (CA) 2015-01-06 US disclosed
US-8927526-B2 Fused aromatic PTP-1B inhibitors KANEQ PHARMA INC. (CA) 2015-01-06 US disclosed
US-20120178679-A1 FUSED AROMATIC PTP-IB INHIBITORS KANEQ PHARMA INC. (CA) 2012-07-12 US disclosed
US-20120178679-A1 FUSED AROMATIC PTP-IB INHIBITORS KANEQ PHARMA INC. (CA) 2012-07-12 US disclosed
US-20120178679-A1 FUSED AROMATIC PTP-IB INHIBITORS KANEQ PHARMA INC. (CA) 2012-07-12 US disclosed
US-8168815-B2 Fused aromatic PTP-1B inhibitors KANEQ PHARMA INC. (CA) 2012-05-01 US disclosed
US-8168815-B2 Fused aromatic PTP-1B inhibitors KANEQ PHARMA INC. (CA) 2012-05-01 US disclosed
CN-102317296-A Fused aromatic PTP-1B inhibitors MERCK FROSST CANADA LTD 2012-01-11 CN disclosed
US-20100022477-A1 FUSED AROMATIC PTP-1B INHIBITORS KANEQ PHARMA INC. (CA) 2010-01-28 US disclosed
US-20100022477-A1 FUSED AROMATIC PTP-1B INHIBITORS KANEQ PHARMA INC. (CA) 2010-01-28 US disclosed
EP-2114971-A1 FUSED AROMATIC PTP-1B INHIBITORS Merck Frosst Canada Ltd. (CA) 2009-11-11 EP disclosed
WO-2008089581-A1 FUSED AROMATIC PTP-1B INHIBITORS MERCK FROSST CANADA LTD. (CA) 2008-07-31 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 (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-20120178679-A1 FUSED AROMATIC PTP-IB INHIBITORS PTPRF, PTPRJ, PTPRCAP CYP2A6 1896/4885CYP1A2 2824/4885ALDH1A1 470/4885
US-20150045325-A1 FUSED AROMATIC PTP-1B INHIBITORS PTPRJ, PTPRF, PTPRCAP CYP2A6 1967/4885CYP1A2 2626/4885ALDH1A1 404/4885
US-20100022477-A1 FUSED AROMATIC PTP-1B INHIBITORS PTPRJ, PTPRF, PTPRCAP CYP2A6 1967/4885CYP1A2 2626/4885ALDH1A1 404/4885

“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.