SCHEMBL6779495

SCHEMBL6779495

O=C(CBr)Nc1ccc(Oc2cccc3ccccc23)cc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.45
MAPK10 P53779 1/20 0.45
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
KDM4E B2RXH2 2/20 0.44
SUCNR1 Q9BXA5 1/20 0.43
PTPN1 P18031 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CARM1 Q86X55 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
LMNA P02545 3/20 0.42
POLB P06746 3/20 0.42
MITF O75030 1/20 0.42
G6PD P11413 1/20 0.41
PTPRC P08575 1/20 0.41
HPGD P15428 2/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL4518641 0.73 DRD4 (0.46) L3MBTL1POLBMAPTHTT
SCHEMBL28286637 0.72 GAA (0.46) MAPK8MAPK10SUCNR1L3MBTL1LMNA
SCHEMBL17848460 0.71 POLB (0.65) KMT2AMEN1KDM4EL3MBTL1LMNA
SCHEMBL6780501 0.70 ALDH1A1 (0.52) KMT2AMEN1PTPN1POLB
SCHEMBL8144840 0.70 MAPT (0.68) KMT2AMEN1KDM4EPOLBHPGD
SCHEMBL30619847 0.70 MAPT (0.68) KMT2AMEN1KDM4EPOLBHPGD
SCHEMBL4184859 0.69 AR (0.68)
SCHEMBL4504752 0.69 SMN1; SMN2 (0.50) KMT2AMEN1LMNAHPGDMAPT
SCHEMBL6783620 0.67 L3MBTL1 (0.55) KMT2AMEN1KDM4EL3MBTL1LMNA
SCHEMBL6780237 0.66 ALDH1A1 (0.46) KMT2AKDM4EL3MBTL1LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040176445-A1 Propionic acid derivatives BAYER PHARMACEUTICALS CORPORATION 2004-09-09 US disclosed
US-6750236-B2 CARDIOVASCULAR DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 2004-06-15 US disclosed
US-20030187041-A1 Propionic acid derivatives URBAHNS KLAUS (DE) 2003-10-02 US disclosed
EP-1328508-A2 PROPIONIC ACID DERIVATIVES WITH PPAR-ALPHA ACTIVATING PROPERTIES Bayer Aktiengesellschaft (DE) 2003-07-23 EP disclosed
US-6548538-B2 Potent peroxisome proliferator activated receptor (PPAR)-alpha-activating compounds; propionic acid 2-subsituted with an N-(phenylaminocarbonylalkyl), N-(2-furanylmethyl)aminoalkylphenyl group BAYER AKTIENGESELLSCHAFT (DE) 2003-04-15 US disclosed
US-20030032671-A1 Propionic acid derivatives BAYER AKTIENGESELLSCHAFT (DE) 2003-02-13 US disclosed
WO-2002028821-A2 PROPIONIC ACID DERIVATIVES WITH PPAR-ALPHA ACTIVATING PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 2002-04-11 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-20030187041-A1 Propionic acid derivatives PPARA, PPARD, PPARG MAPK8 2417/4885MAPK10 1849/4885KMT2A 3323/4885
US-20030032671-A1 Propionic acid derivatives PPARD, PPARA, PPARG MAPK8 1941/4885MAPK10 1483/4885KMT2A 4215/4885
US-20040176445-A1 Propionic acid derivatives PPARD, PPARA, PPARG MAPK8 1941/4885MAPK10 1483/4885KMT2A 4215/4885

“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.