SCHEMBL140563

SCHEMBL140563

O=C(O)CC(=O)Nc1ccc(Br)cc1C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.73
KDM4E B2RXH2 2/20 0.73
POLB P06746 2/20 0.67
APEX1 P27695 1/20 0.60
MEN1 O00255 6/20 0.58
KMT2A Q03164 6/20 0.58
MAPK1 P28482 2/20 0.56
AKR1C2 P52895 2/20 0.55
AKR1C1 Q04828 2/20 0.55
AKR1C4 P17516 1/20 0.55
AKR1C3 P42330 1/20 0.55
ALDH1A1 P00352 3/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TRPM2 O94759 1/20 0.49
KCNK2 O95069 1/20 0.49
KCNK10 P57789 1/20 0.49
MAPT P10636 2/20 0.48
ABL1 P00519 1/20 0.48
TSHR P16473 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
SCHEMBL29440123 1.00 TDP1 (0.73) TDP1KDM4EPOLBAPEX1MEN1
SCHEMBL7532175 0.87 POLB (0.68) TDP1KDM4EPOLBAPEX1MEN1
SCHEMBL8689243 0.87 TDP1 (0.68) TDP1KDM4EPOLBAPEX1MEN1
SCHEMBL15647380 0.81 KMT2A (0.67) TDP1KDM4EPOLBMEN1KMT2A
SCHEMBL16655841 0.80 KDM4E (0.68) TDP1KDM4EPOLBAPEX1MEN1
SCHEMBL30894835 0.80 MAPT (0.60) TDP1KDM4EPOLBMEN1KMT2A
SCHEMBL9416712 0.80 MAPT (0.60) TDP1KDM4EPOLBMEN1KMT2A
SCHEMBL111313 0.79 ALDH1A1 (0.76) TDP1KDM4EPOLBAPEX1MEN1
SCHEMBL7544693 0.79 KDM4E (0.59) TDP1KDM4EPOLBAPEX1MEN1
SCHEMBL582448 0.79 KDM4E (0.67) TDP1KDM4EPOLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107162928-B Halogenated analogs of anti-fibrotic agents 塞尔塔医疗有限公司 2022-03-11 CN disclosed
EP-3045170-B1 HALOGENATED ANALOGUES OF ANTI-FIBROTIC AGENTS FIBROTECH THERAPEUTICS PTY LTD (AU) 2018-07-04 EP disclosed
EP-3045170-B1 HALOGENATED ANALOGUES OF ANTI-FIBROTIC AGENTS FIBROTECH THERAPEUTICS PTY LTD (AU) 2018-07-04 EP disclosed
EP-2799427-B1 Therapeutic compounds FIBROTECH THERAPEUTICS PTY LTD (AU) 2018-07-04 EP disclosed
US-9561201-B2 Therapeutic compounds FIBROTECH THERAPEUTICS PTY LTD (AU) 2017-02-07 US disclosed
US-9561201-B2 Therapeutic compounds FIBROTECH THERAPEUTICS PTY LTD (AU) 2017-02-07 US disclosed
EP-3045170-A1 HALOGENATED ANALOGUES OF ANTI-FIBROTIC AGENTS Fibrotech Therapeutics PTY LTD (AU) 2016-07-20 EP disclosed
EP-3045170-A1 HALOGENATED ANALOGUES OF ANTI-FIBROTIC AGENTS Fibrotech Therapeutics PTY LTD (AU) 2016-07-20 EP disclosed
EP-2220028-B1 HALOGENATED ANALOGUES OF ANTI-FIBROTIC AGENTS FIBROTECH THERAPEUTICS PTY LTD (AU) 2016-03-09 EP disclosed
EP-2220028-B1 HALOGENATED ANALOGUES OF ANTI-FIBROTIC AGENTS FIBROTECH THERAPEUTICS PTY LTD (AU) 2016-03-09 EP disclosed
US-20110021815-A1 HALOGENATED ANALOGUES OF ANTI-FIBROTIC AGENTS FIBROTECH THERAPEUTICS PTY LTD (AU) 2011-01-27 US disclosed
EP-2220028-A1 HALOGENATED ANALOGUES OF ANTI-FIBROTIC AGENTS Fibrotech Therapeutics PTY LTD (AU) 2010-08-25 EP disclosed
US-20100130497-A1 Therapeutic Compounds FIBROTECH THERAPEUTICS PTY LTD (AU) 2010-05-27 US disclosed
US-20100130497-A1 Therapeutic Compounds FIBROTECH THERAPEUTICS PTY LTD (AU) 2010-05-27 US disclosed
US-20100130497-A1 Therapeutic Compounds FIBROTECH THERAPEUTICS PTY LTD (AU) 2010-05-27 US disclosed
WO-2009079692-A1 HALOGENATED ANALOGUES OF ANTI-FIBROTIC AGENTS FIBROTECH THERAPEUTICS PTY LTD (AU) 2009-07-02 WO disclosed
WO-2009079692-A1 HALOGENATED ANALOGUES OF ANTI-FIBROTIC AGENTS FIBROTECH THERAPEUTICS PTY LTD (AU) 2009-07-02 WO disclosed
EP-2035369-A1 THERAPEUTIC COMPOUNDS Fibrotech Therapeutics PTY LTD (AU) 2009-03-18 EP disclosed
WO-2008003141-A1 THERAPEUTIC COMPOUNDS FIBROTECH THERAPEUTICS PTY LTD (AU) 2008-01-10 WO disclosed
WO-2008003141-A1 THERAPEUTIC COMPOUNDS FIBROTECH THERAPEUTICS PTY LTD (AU) 2008-01-10 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-20100130497-A1 Therapeutic Compounds NFATC1, NAT1, AADAC TDP1 3685/4885KDM4E 1709/4885POLB 3843/4885
US-20110021815-A1 HALOGENATED ANALOGUES OF ANTI-FIBROTIC AGENTS MMP1, FIBP, HDGF TDP1 2890/4885KDM4E 1397/4885POLB 1690/4885

“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.