SCHEMBL5769256

SCHEMBL5769256

COc1nc2cc(C(F)(F)F)ccc2[nH]c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.41
MAT2A P31153 2/20 0.41
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
PABPC1 P11940 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KHK P50053 1/20 0.40
IDH1 O75874 1/20 0.40
JUN P05412 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
PIK3CA P42336 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
CYP2C9 P11712 1/20 0.39
TNKS O95271 1/20 0.38

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
SCHEMBL5775034 0.89 NPBWR1 (0.50) MAPTJUNNFKB1NFKB2RELA
SCHEMBL5769991 0.78 HRH4 (0.52) MAPTMEN1KMT2AALDH1A1IDH1
SCHEMBL5770451 0.75 CDK4 (0.36) KMT2AKDM4EALDH1A1NFKB1NFKB2
SCHEMBL9704290 0.74 GRIN2D (0.55) PARP1MAPTMEN1KMT2APOLB
SCHEMBL5772209 0.74 ALDH1A1 (0.41) MAPTMEN1KMT2APOLBPABPC1
SCHEMBL29898515 0.74 FABP4 (0.52) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL5679579 0.73 MAPT (0.57) MAPTMEN1KMT2APOLBKDM4E
SCHEMBL5774049 0.73 PLAUR (0.56) MAPTMEN1KMT2APOLBKDM4E
SCHEMBL17161367 0.73 HRH4 (0.47) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL9705656 0.73 KDM4E (0.50) MAPTMEN1KMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1670768-A1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA ELI LILLY AND COMPANY (US) 2006-06-21 EP disclosed
EP-1670774-A1 QUINOXALINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-21 EP disclosed
WO-2005037796-A1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA ELI LILLY AND COMPANY (US) 2005-04-28 WO disclosed
WO-2005033088-A1 QUINOXALINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2005-04-14 WO disclosed
US-20050070527-A1 For leukocyte recruitment inhibition, treating or preventing inflammation and H4 receptor-mediated conditions JANSSEN PHARMACEUTICA, N.V. (BE) 2005-03-31 US 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-20050070527-A1 For leukocyte recruitment inhibition, treating or preventing inflammation and H4 receptor-mediated conditions HRH4, HRH3, LTB4R PARP1 1320/4885MAT2A 2326/4885MAPT 3573/4885

“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.