SCHEMBL1825893

SCHEMBL1825893

CCC(=O)Nc1ccc(/C=C/c2ccc(F)cc2F)cc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 3/20 0.46
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
DHODH Q02127 3/20 0.42
HTR2A P28223 3/20 0.42
HTR2C P28335 3/20 0.42
KCNH2 Q12809 2/20 0.42
PKM P14618 1/20 0.40
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
ATM Q13315 1/20 0.39
EGFR P00533 1/20 0.39
GAA P10253 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL1825897 1.00 NFE2L2 (0.46) NFE2L2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL1825937 0.89 KDM4E (0.57) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL1828703 0.89 KMT2A (0.48) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL1824375 0.89 KDM4E (0.57) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL1826329 0.89 KMT2A (0.48) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL4606305 0.87 KCNA3 (0.46) NFE2L2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4606313 0.87 KCNA3 (0.46) NFE2L2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL1825899 0.87 APP (0.43) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL1825902 0.87 APP (0.43) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL1828407 0.87 PLK1 (0.43) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461205-B2 Anthranilic acid derivatives CHELSEA THERAPEUTICS, INC. (US) 2013-06-11 US claimed
US-20120283326-A1 ANTHRANILIC ACID DERIVATIVES CHELSEA THERAPEUTICS, INC. 2012-11-08 US claimed
US-8263658-B2 Anthranilic acid derivatives CHELSEA THERAPEUTICS, INC. (US) 2012-09-11 US claimed
EP-2118051-B1 NEW COMPOUNDS, METHODS FOR THEIR PREPARATION AND USE THEREOF CHELSEA THERAPEUTICS INC (US) 2011-05-04 EP claimed
US-20100029767-A1 ANTHRANILIC ACID DERIVATIVES Chelsea Therapeutics, Inc 2010-02-04 US claimed
EP-2118051-A1 NEW COMPOUNDS, METHODS FOR THEIR PREPARATION AND USE THEREOF Chelsea Therapeutics, Inc. (US) 2009-11-18 EP claimed
WO-2008097180-A1 NEW COMPOUNDS, METHODS FOR THEIR PREPARATION AND USE THEREOF CHELSEA THERAPEUTICS, INC. (US) 2008-08-14 WO claimed
US-8461205-B2 Anthranilic acid derivatives CHELSEA THERAPEUTICS, INC. (US) 2013-06-11 US disclosed
US-20120283326-A1 ANTHRANILIC ACID DERIVATIVES CHELSEA THERAPEUTICS, INC. 2012-11-08 US disclosed
US-8263658-B2 Anthranilic acid derivatives CHELSEA THERAPEUTICS, INC. (US) 2012-09-11 US disclosed
EP-2118051-B1 NEW COMPOUNDS, METHODS FOR THEIR PREPARATION AND USE THEREOF CHELSEA THERAPEUTICS INC (US) 2011-05-04 EP disclosed
US-20100029767-A1 ANTHRANILIC ACID DERIVATIVES Chelsea Therapeutics, Inc 2010-02-04 US disclosed
EP-2118051-A1 NEW COMPOUNDS, METHODS FOR THEIR PREPARATION AND USE THEREOF Chelsea Therapeutics, Inc. (US) 2009-11-18 EP disclosed
WO-2008097180-A1 NEW COMPOUNDS, METHODS FOR THEIR PREPARATION AND USE THEREOF CHELSEA THERAPEUTICS, INC. (US) 2008-08-14 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-20120283326-A1 ANTHRANILIC ACID DERIVATIVES ACOX3, BCL3, AOC3 NFE2L2 213/4885ALDH1A1 1441/4885KDM4E 4207/4885
US-20100029767-A1 ANTHRANILIC ACID DERIVATIVES ACOX3, BCL3, AOC3 NFE2L2 213/4885ALDH1A1 1429/4885KDM4E 4172/4885

“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.