SCHEMBL4464974

SCHEMBL4464974

Cc1ccc(-c2ccncc2)c([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
CYP3A4 P08684 1/20 0.55
CYP46A1 Q9Y6A2 2/20 0.48
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.44
GPR35 Q9HC97 1/20 0.42
MAPT P10636 4/20 0.41
ALDH1A1 P00352 5/20 0.41
KMT2A Q03164 4/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 4/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 3/20 0.40
PDE7A Q13946 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
PDE4B Q07343 1/20 0.40
PDE4D Q08499 1/20 0.40
PDE7B Q9NP56 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP11B1 P15538 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
SCHEMBL4259701 0.86 TSHR (0.62) TSHRCYP3A4GPR35MAPTALDH1A1
SCHEMBL29864864 0.86 TSHR (0.62) TSHRCYP3A4GPR35MAPTALDH1A1
SCHEMBL2960968 0.83 ALDH1A1 (0.61) TSHRCYP3A4RAB9ANPC1GPR35
SCHEMBL11189916 0.82 TSHR (0.72) TSHRCYP3A4RAB9ANPC1GPR35
SCHEMBL4468465 0.81 MEN1 (0.49) TSHRCYP3A4RAB9ANPC1MAPT
SCHEMBL12722617 0.80 TSHR (0.55) TSHRCYP3A4RAB9ANPC1GPR35
SCHEMBL27930471 0.80 TSHR (0.59) TSHRCYP3A4GPR35MAPTALDH1A1
SCHEMBL3538142 0.80 TSHR (0.55) TSHRCYP3A4RAB9ANPC1GPR35
SCHEMBL11739674 0.79 TSHR (0.53) TSHRCYP3A4RAB9ANPC1GPR35
SCHEMBL2955704 0.78 ALDH1A1 (0.54) TSHRCYP3A4RAB9ANPC1MAPT

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
US-7560462-B2 Compounds useful for inhibiting CHK1 ICOS CORPORATION (US) 2009-07-14 US disclosed
US-20080214573-A1 Compounds Useful for Inhibiting Chk1 ICOS CORPORATION (US) 2008-09-04 US disclosed
CN-101010316-A Compounds useful for inhibiting CHK1 ICOS CORP (US) 2007-08-01 CN disclosed
EP-1768977-A2 COMPOUNDS USEFUL FOR INHIBITING CHK1 ICOS Corporation (US) 2007-04-04 EP disclosed
WO-2006014359-A2 COMPOUNDS USEFUL FOR INHIBITING CHK1 ICOS CORPORATION (US) 2006-02-09 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 (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-20080214573-A1 Compounds Useful for Inhibiting Chk1 ORC3, MCM3, CHEK1 TSHR 1478/4885CYP3A4 3598/4885CYP46A1 3621/4885

“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.