SCHEMBL4782675

SCHEMBL4782675

CCCCCn1ncc(-n2ccnc2)c(Br)c1=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 1/20 0.39
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ PKM P14618 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP19A1 P11511 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ PFKFB3 Q16875 2/20 0.36
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ EGLN2 Q96KS0 1/20 0.33
▸ MITF O75030 1/20 0.33
▸ S1PR4 O95977 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ S1PR1 P21453 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL4783685 0.86 TBXAS1 (0.40) TBXAS1CYP3A4CYP2D6PKMCYP1A2
SCHEMBL4786381 0.75 NPC1 (0.55) PKMNPC1RAB9AMITFS1PR4
SCHEMBL9775189 0.68 MAPT (0.40) PKMPFKFB3NPC1RAB9AKMT2A
SCHEMBL2945239 0.61 PKM (0.41) PKM
SCHEMBL3005570 0.61 IDO1 (0.49) TBXAS1CYP3A4CYP2D6CYP1A2CYP19A1
SCHEMBL11759940 0.61 NPC1 (0.58) PKMNPC1RAB9AKMT2AMITF
SCHEMBL28132327 0.60 TBXAS1 (0.96) TBXAS1
SCHEMBL3749950 0.60 TLR8 (0.50) TBXAS1CYP3A4CYP1A2CYP2C19NPC1
SCHEMBL2359032 0.60 CYP3A4 (0.41) TBXAS1CYP3A4CYP2D6CYP1A2CYP19A1
SCHEMBL9422 0.59 TBXAS1 (0.96) TBXAS1

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-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-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 TBXAS1 972/4885CYP3A4 246/4885CYP2D6 43/4885

“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.

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