SCHEMBL3076873

SCHEMBL3076873

CC1(C)CNCC(=O)N1c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.41
ALDH1A1 P00352 5/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
ELANE P08246 1/20 0.37
GAA P10253 3/20 0.36
HTT P42858 1/20 0.36
HTR6 P50406 1/20 0.36
ALOX12 P18054 1/20 0.36
ATM Q13315 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL6224475 0.77 MMP13 (0.40) MMP13ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL5914114 0.71 HTT (0.58) ALDH1A1MEN1KMT2AHPGDGAA
SCHEMBL4541984 0.69 GAA (0.45) ALDH1A1CYP1A2CYP2C9CYP2C19MEN1
SCHEMBL22054800 0.69 MMP13 (0.41) MMP13ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL17786318 0.68 SLC6A2 (0.33) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL2918220 0.67 CRBN (0.30)
SCHEMBL291894 0.67 MAPT (0.43) ALDH1A1CYP1A2CYP2C9CYP2C19MEN1
SCHEMBL1461676 0.66 AR (0.47) MMP13ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL7563335 0.66 ALDH1A1 (0.41) MMP13ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL22054799 0.65 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP2C9CYP2C19HPGD

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-2220073-B1 PYRIDAZINONE DERIVATIVES AS PARP INHIBITORS MSD ITALIA SRL (IT) 2014-09-03 EP disclosed
US-8268827-B2 Pyridazinone derivatives as PARP inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA. (IT) 2012-09-18 US disclosed
US-20100261709-A1 PYRIDAZINONE DERIVATIVES AS PARP INHIBITORS MSD ITALIA S.R.L. (IT) 2010-10-14 US disclosed
EP-2220073-A1 PYRIDAZINONE DERIVATIVES AS PARP INHIBITORS Istituto Di Ricerche Di Biologia Molecolare P. Angeletti S.P.A. (IT) 2010-08-25 EP disclosed
WO-2009063244-A1 PYRIDAZINONE DERIVATIVES AS PARP INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2009-05-22 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-20100261709-A1 PYRIDAZINONE DERIVATIVES AS PARP INHIBITORS PARP1, PARP2, PARP3 MMP13 2242/4885ALDH1A1 325/4885CYP1A2 1623/4885

“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.