SCHEMBL4035775

SCHEMBL4035775

O=C(O)c1cc(Br)cc2c1NCCC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
MAPT P10636 3/20 0.43
AKR1C3 P42330 2/20 0.40
AKR1C2 P52895 2/20 0.40
AKR1C1 Q04828 2/20 0.40
AKR1C4 P17516 1/20 0.40
HDAC4 P56524 1/20 0.38
HSD17B10 Q99714 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
GLA P06280 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PLA2G1B P04054 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
SRD5A1 P18405 1/20 0.34
SRD5A2 P31213 1/20 0.34
NNMT P40261 1/20 0.34
PARP1 P09874 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
SCHEMBL9470766 0.95 KDM4E (0.41) KDM4EMAPTAKR1C3AKR1C2AKR1C1
SCHEMBL9471242 0.90 AKR1C3 (0.42) KDM4EMAPTAKR1C3AKR1C2AKR1C1
SCHEMBL9179945 0.82 KDM4E (0.55) KDM4EMAPTHDAC4HSD17B10ALDH1A1
SCHEMBL9178074 0.82 KDM4E (0.44) KDM4EMAPTHDAC4HSD17B10ALDH1A1
SCHEMBL9175444 0.81 KDM4E (0.43) KDM4EMAPTHDAC4HSD17B10ALDH1A1
SCHEMBL3949652 0.81 KDM4E (0.43) KDM4EMAPTHDAC4HSD17B10ALDH1A1
SCHEMBL3950860 0.81 KDM4E (0.43) KDM4EMAPTAKR1C3AKR1C2AKR1C1
SCHEMBL3945745 0.81 KDM4E (0.43) KDM4EMAPTHDAC4HSD17B10ALDH1A1
SCHEMBL9175188 0.78 NNMT (0.51) KDM4EMAPTHDAC4HSD17B10ALDH1A1
SCHEMBL9174721 0.78 XDH (0.45) KDM4EMAPTHDAC4HSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090171091-A1 COMPOUNDS SUITABLE AS MODULATORS OF HDL CADILA HEALTHCARE LIMITED (IN) 2009-07-02 US claimed
EP-2049493-A2 COMPOUNDS SUITABLE AS MODULATORS OF HDL Cadila Healthcare Limited (IN) 2009-04-22 EP claimed
WO-2008059513-A2 COMPOUNDS SUITABLE AS MODULATORS OF HDL CADILA HEALTHCARE LIMITED (IN) 2008-05-22 WO claimed
US-20090171091-A1 COMPOUNDS SUITABLE AS MODULATORS OF HDL CADILA HEALTHCARE LIMITED (IN) 2009-07-02 US disclosed
EP-0310096-B1 Novel cyclic anthranilic acid derivatives and process for their preparation KYORIN SEIYAKU KK (JP) 1995-04-19 EP disclosed
US-5281600-A Antiinflammatory agents, rheumatic diseases and immunomodulators KYORIN PHARMACEUTICAL CO., LTD. (JP) 1994-01-25 US disclosed
US-5147874-A Antiarthritic agents KYORIN PHARMACEUTICAL CO., LTD. (JP) 1992-09-15 US disclosed
US-4956372-A ANTIRHEUMATOID AND IMMUNOMODULATORS KYORIN PHARMACEUTICAL CO., LTD. (JP) 1990-09-11 US disclosed
EP-0310096-A2 Novel cyclic anthranilic acid derivatives and process for their preparation KYORIN PHARMACEUTICAL CO., LTD. (JP) 1989-04-05 EP 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-20090171091-A1 COMPOUNDS SUITABLE AS MODULATORS OF HDL CETP, APOB, HDLBP KDM4E 4055/4885MAPT 144/4885AKR1C3 479/4885

“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.