SCHEMBL8311544

SCHEMBL8311544

Cc1ccc(-n2cc[nH]c2=O)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
MAP3K5 Q99683 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HPGD P15428 2/20 0.36
CCR1 P32246 1/20 0.34
CCR2 P41597 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
MAP2K2 P36507 1/20 0.32
MAP2K1 Q02750 1/20 0.32
HCAR1 Q9BXC0 1/20 0.32
CRHR1 P34998 2/20 0.32
DAO P14920 2/20 0.32
HPD P32754 1/20 0.32
ADCY2 Q08462 1/20 0.32
G6PD P11413 1/20 0.31

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
SCHEMBL8307483 0.83 ALDH1A1 (0.66) ALDH1A1NPSR1HPGDHCAR1CRHR1
SCHEMBL8536677 0.83 L3MBTL1 (0.37) L3MBTL1DAO
SCHEMBL27469414 0.81 ALDH1A1 (0.46) ALDH1A1NPSR1HPGDL3MBTL1CRHR1
SCHEMBL8306574 0.81 ALDH1A1 (0.46) ALDH1A1NPSR1HPGDL3MBTL1CRHR1
SCHEMBL27471787 0.77 ALDH1A1 (0.46) ALDH1A1HPGDL3MBTL1HCAR1CRHR1
SCHEMBL12900953 0.77 ALDH1A1 (0.46) ALDH1A1NPSR1HPGDFFAR4L3MBTL1
SCHEMBL14502271 0.77 ALDH1A1 (0.43) ALDH1A1NPSR1HPGDL3MBTL1HCAR1
SCHEMBL22601569 0.72 MAP3K5 (0.45) MAP3K5NPSR1CCR1CCR2FFAR4
SCHEMBL8306550 0.72 MAP3K5 (0.40) ALDH1A1MAP3K5NPSR1HPGDCCR1
SCHEMBL3858469 0.72 CMA1 (0.43) ALDH1A1HPGDL3MBTL1HCAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11427556-B2 Urea derivatives as inhibitors of ASK1 Hepagene Therapeutics (HK) Limited (HK) 2022-08-30 US disclosed
US-20200339530-A1 UREA DERIVATIVES AS INHIBITORS OF ASK1 HEPAGENE THERAPEUTICS, INC. (VG) 2020-10-29 US disclosed
CN-111433198-A Urea derivatives as inhibitors of ASK1 合帕吉恩治疗公司 2020-07-17 CN disclosed
US-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-14 US disclosed
US-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-14 US disclosed
US-7205318-B2 Lactam-containing cyclic diamines and derivatives as a factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 US disclosed
US-7205318-B2 Lactam-containing cyclic diamines and derivatives as a factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 US disclosed
WO-2004082687-A1 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 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-11427556-B2 Urea derivatives as inhibitors of ASK1 ATF1, ERN1, MAP3K1 ALDH1A1 1908/4885MAP3K5 18/4885NPSR1 4687/4885
US-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS F12, F2, PEPD ALDH1A1 3204/4885MAP3K5 3042/4885NPSR1 2220/4885
US-20200339530-A1 UREA DERIVATIVES AS INHIBITORS OF ASK1 ATF1, ERN1, MAP3K1 ALDH1A1 1908/4885MAP3K5 18/4885NPSR1 4687/4885

“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.