SCHEMBL7799119

SCHEMBL7799119

CN(Cc1ccccc1)C(=O)c1cnc2c3c(ccc2c1)C(=O)C(C(=O)O)C=N3

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ROCK2 O75116 2/20 0.42
ROCK1 Q13464 1/20 0.41
CFTR P13569 1/20 0.40
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HPGD P15428 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MAOA P21397 1/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
LIMK2 P53671 1/20 0.37
CNR1 P21554 1/20 0.37
ATM Q13315 1/20 0.37
ITK Q08881 1/20 0.36

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
SCHEMBL7802386 0.92 KMT2A (0.40) KMT2AROCK2ROCK1ALDH1A1LIMK2
SCHEMBL7793512 0.91 ROCK2 (0.44) ROCK2ROCK1CFTR
SCHEMBL7803166 0.88 LMNA (0.42) MEN1KMT2ACFTRALDH1A1ATM
SCHEMBL7799106 0.87 ROCK2 (0.40) MEN1KMT2AROCK2ROCK1CFTR
SCHEMBL7799131 0.85 PDK2 (0.36) HPGDALDH1A1GAATSHR
SCHEMBL7798934 0.85 KMT2A (0.41) MEN1KMT2AROCK2ROCK1CFTR
SCHEMBL7799354 0.84 KMT2A (0.41) MEN1KMT2AROCK2ROCK1CFTR
SCHEMBL7799172 0.84 PDK2 (0.33) HDAC6
SCHEMBL7793529 0.84 RIPK1 (0.37) MEN1KMT2AATM
SCHEMBL7802357 0.82 KMT2A (0.37) KMT2AALDH1A1GAA

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-1027351-A1 PHENANTHROLINE DERIVATIVES FIBROGEN, INC. (US) 2000-08-16 EP claimed
WO-1999021860-B1 PHENANTHROLINE DERIVATIVES FIBROGEN INC (US) 1999-08-05 WO claimed
WO-1999021860-A1 PHENANTHROLINE DERIVATIVES FIBROGEN, INC. (US) 1999-05-06 WO claimed
US-20010001101-A1 Phenanthroline derivatives ZENECA LIMITED 2001-05-10 US disclosed
US-5916898-A ANTIFIBROPROLIFERTIVE, ENZYME INHIBITORS OF PYROLYL 4-HYDROXYLASE, ANTIARTHRITIC AGENTS ZENECA LIMITED (GB) 1999-06-29 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-20010001101-A1 Phenanthroline derivatives H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, COL1A1, COL2A1 MEN1 2187/4885KMT2A 1250/4885ROCK2 2326/4885

“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.