SCHEMBL1076493

SCHEMBL1076493

COc1ccccc1Cc1n[nH]c(=O)c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 13/20 1.00
CYP3A4 P08684 1/20 0.66
CYP2C9 P11712 1/20 0.66
TSHR P16473 1/20 0.66
CYP2C19 P33261 1/20 0.66
PARP1 P09874 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.55
LMNA P02545 2/20 0.54
HTT P42858 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
PRMT5 O14744 1/20 0.53
POLB P06746 1/20 0.52

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
SCHEMBL19748634 0.84 AR (0.73) ARCYP3A4CYP2C9TSHRCYP2C19
SCHEMBL29655186 0.84 AR (0.73) ARCYP3A4CYP2C9TSHRCYP2C19
SCHEMBL19748386 0.82 AR (0.69) ARCYP3A4CYP2C9TSHRCYP2C19
SCHEMBL29655146 0.82 AR (0.69) ARCYP3A4CYP2C9TSHRCYP2C19
SCHEMBL12955524 0.81 AR (1.00) ARPARP1LMNAHTTNPSR1
SCHEMBL19748342 0.81 AR (0.67) ARCYP3A4CYP2C9TSHRCYP2C19
SCHEMBL29655013 0.80 AR (0.67) ARCYP3A4CYP2C9TSHRCYP2C19
SCHEMBL19748608 0.80 AR (0.67) ARCYP3A4CYP2C9TSHRCYP2C19
SCHEMBL21528308 0.80 AR (0.66) ARCYP3A4CYP2C9TSHRCYP2C19
SCHEMBL29655072 0.80 AR (0.66) ARCYP3A4CYP2C9TSHRCYP2C19

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
EP-1330442-B1 PHTHALAZINONE DERIVATIVES KUDOS PHARM LTD (GB) 2011-01-19 EP disclosed
US-7750006-B2 Phthalazinone derivatives KUDOS PHARMACEUTICALS LIMITED (GB) 2010-07-06 US disclosed
US-7151102-B2 Phthalazinone derivatives KUDOS PHARMACEUTICALS LIMITED (GB) 2006-12-19 US disclosed
US-20060142293-A1 Phthalazinone derivatives KUDOS PHARMACEUTICALS LIMITED (GB) 2006-06-29 US disclosed
EP-1330442-A1 PHTHALAZINONE DERIVATIVES Kudos Pharmaceuticals Limited (GB) 2003-07-30 EP disclosed
US-20020183325-A1 Therapy of disease of the human or animal body mediated by poly ADP-ribosyltransferase (PARP) by administering phthalazinone derivatives KUDOS PHARMACEUTICALS LIMITED (GB) 2002-12-05 US disclosed
WO-2002036576-A1 PHTHALAZINONE DERIVATIVES KUDOS PHARMACEUTICALS LIMITED (GB) 2002-05-10 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 (2 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-20060142293-A1 Phthalazinone derivatives CBR1, CBR3, PARP2 AR 267/4885CYP3A4 2601/4885CYP2C9 2023/4885
US-20020183325-A1 Therapy of disease of the human or animal body mediated by poly ADP-ribosyltransferase (PARP) by administering phthalazinone derivatives PARP1, PARP11, PARP3 AR 435/4885CYP3A4 3648/4885CYP2C9 3734/4885

“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.