SCHEMBL4672310

SCHEMBL4672310

CC(=O)N1CCN(c2cnn(-c3ccc(C)cc3)c(=O)c2Cl)CC1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DCTPP1 Q9H773 4/20 0.62
ALDH1A1 P00352 9/20 0.59
SMN1; SMN2 Q16637 4/20 0.56
RXFP1 Q9HBX9 1/20 0.53
MAPT P10636 1/20 0.53
CA12 O43570 4/20 0.52
CA1 P00915 4/20 0.52
CA2 P00918 4/20 0.52
CA9 Q16790 4/20 0.52
RAB9A P51151 3/20 0.50
NPC1 O15118 3/20 0.50
PKM P14618 2/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50

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
SCHEMBL4672611 0.92 DCTPP1 (0.64) DCTPP1ALDH1A1SMN1; SMN2RXFP1MAPT
SCHEMBL14494838 0.87 DCTPP1 (0.61) DCTPP1ALDH1A1SMN1; SMN2RXFP1MAPT
SCHEMBL4900428 0.85 DCTPP1 (0.62) DCTPP1ALDH1A1SMN1; SMN2RXFP1MAPT
SCHEMBL4904270 0.82 CA12 (0.74) DCTPP1ALDH1A1SMN1; SMN2RXFP1MAPT
SCHEMBL4670530 0.81 DCTPP1 (0.65) DCTPP1ALDH1A1SMN1; SMN2RXFP1MAPT
SCHEMBL14282226 0.79 NPBWR1 (0.53) ALDH1A1SMN1; SMN2LMNA
SCHEMBL4937843 0.78 DCTPP1 (0.58) DCTPP1ALDH1A1SMN1; SMN2RXFP1MAPT
SCHEMBL14221005 0.77 DCTPP1 (0.64) DCTPP1ALDH1A1SMN1; SMN2RXFP1MAPT
SCHEMBL14282347 0.77 MCHR1 (0.56) DCTPP1ALDH1A1SMN1; SMN2RXFP1LMNA
SCHEMBL14282348 0.76 NPBWR1 (0.48) ALDH1A1

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-1497269-B1 SUBSTITUTED 2-PHENYL-3(2H)-PYRIDAZINONES BAYER HEALTHCARE AG (DE) 2008-04-23 EP disclosed
US-7320977-B2 Fibrotic disorders; disorders characterized by harmful buildup of collagen and/or by excessive lysyl oxidase enzymatic activity BAYER HEALTHCARE AG (DE) 2008-01-22 US disclosed
US-7320977-B2 Fibrotic disorders; disorders characterized by harmful buildup of collagen and/or by excessive lysyl oxidase enzymatic activity BAYER HEALTHCARE AG (DE) 2008-01-22 US disclosed
US-7320977-B2 Fibrotic disorders; disorders characterized by harmful buildup of collagen and/or by excessive lysyl oxidase enzymatic activity BAYER HEALTHCARE AG (DE) 2008-01-22 US disclosed
US-20060004015-A1 Substituted 2-phenyl-3(2h)-pyridazinones BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-01-05 US disclosed
EP-1497269-A1 SUBSTITUTED 2-PHENYL-3(2H)-PYRIDAZINONES Bayer HealthCare AG (DE) 2005-01-19 EP disclosed
WO-2003097612-A1 SUBSTITUTED 2-PHENYL-3(2H)-PYRIDAZINONES BAYER HEALTHCARE AG (DE) 2003-11-27 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-20060004015-A1 Substituted 2-phenyl-3(2h)-pyridazinones PIR, TPMT, PNPO DCTPP1 703/4885ALDH1A1 655/4885SMN1; SMN2 1763/4885

“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.