SCHEMBL4675758

SCHEMBL4675758

O=c1c(Cl)c(N2CCNCC2)cnn1-c1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.56
CA1 P00915 5/20 0.56
CA2 P00918 5/20 0.56
CA9 Q16790 5/20 0.56
ALDH1A1 P00352 5/20 0.53
DCTPP1 Q9H773 3/20 0.53
MAPT P10636 1/20 0.52
HTR3A P46098 3/20 0.51
HTR3E A5X5Y0 1/20 0.51
HTR3B O95264 1/20 0.51
ADRB1 P08588 1/20 0.51
HTR3D Q70Z44 1/20 0.51
HTR3C Q8WXA8 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
HTR1A P08908 2/20 0.49
HTR7 P34969 2/20 0.49
HTR2B P41595 2/20 0.49
HTR6 P50406 2/20 0.49
HTR2A P28223 1/20 0.49
HTR5A P47898 1/20 0.49

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
SCHEMBL6030180 0.89 ALDH1A1 (0.66) CA12CA1CA2CA9ALDH1A1
SCHEMBL11943550 0.86 CYP3A4 (0.61) CA12CA1CA2CA9ALDH1A1
SCHEMBL4675689 0.85 CA12 (0.49) CA12CA1CA2CA9ALDH1A1
SCHEMBL13219453 0.84 ALDH1A1 (0.59) CA12CA1CA2CA9ALDH1A1
SCHEMBL4670530 0.81 DCTPP1 (0.65) CA12CA1CA2CA9ALDH1A1
SCHEMBL4673039 0.80 ALDH1A1 (0.82) CA12CA1CA2CA9ALDH1A1
SCHEMBL4672611 0.80 DCTPP1 (0.64) CA12CA1CA2CA9ALDH1A1
SCHEMBL4673104 0.79 NPBWR1 (0.56) ALDH1A1SMN1; SMN2CYP3A4CYP2C19NPSR1
SCHEMBL14220856 0.79 CA12 (0.55) CA12CA1CA2CA9ALDH1A1
SCHEMBL4937843 0.78 DCTPP1 (0.58) CA12CA1CA2CA9ALDH1A1

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 6 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
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

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 CA12 4585/4885CA1 4770/4885CA2 3352/4885

“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.