SCHEMBL9726416

SCHEMBL9726416

CC(C)n1ncc(Br)c(Br)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.46
NPC1 O15118 8/20 0.46
MAPT P10636 8/20 0.46
RAB9A P51151 8/20 0.46
SMN1; SMN2 Q16637 8/20 0.46
HTT P42858 6/20 0.46
NPSR1 Q6W5P4 6/20 0.46
XBP1 P17861 4/20 0.46
S1PR4 O95977 4/20 0.46
S1PR1 P21453 4/20 0.46
RXFP1 Q9HBX9 2/20 0.46
MITF O75030 2/20 0.46
LMNA P02545 5/20 0.44
PAX8 Q06710 2/20 0.44
GAA P10253 1/20 0.41
BPTF Q12830 1/20 0.35
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
HPGD P15428 3/20 0.33
PPARG P37231 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
SCHEMBL7735556 0.78 ALDH1A1 (0.51) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL38652260 0.73 NPC1 (0.38) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL4292263 0.72 NPC1 (0.50) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL25755572 0.72 GPR139 (0.32) BPTFHTR2AHTR2C
SCHEMBL10366228 0.69 BPTF (0.40) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL13323939 0.69 SMN1; SMN2 (0.38) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL9233774 0.68 SMN1; SMN2 (0.50) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL9234085 0.68 BPTF (0.48) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL1890748 0.67 PDE1C (0.34) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL20155367 0.67 CREBBP (0.34) ALDH1A1SMN1; SMN2CYP1A2CYP2C19PDE1C

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718612-B2 Pyridazinonyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2010-05-18 US disclosed
US-20090035272-A1 Pyridazinonyl Macrocyclic Hepatitis C Serine Protease Inhibitors ENANTA PHARMACEUTICALS, INC. 2009-02-05 US disclosed
US-5098900-A Reducing contractions in smooth muscles NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1992-03-24 US disclosed
US-5011839-A Antagonists to slow reacting substance of anaphylaxis NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1991-04-30 US disclosed
EP-0376079-A1 3(2H)pyridazinones, processes for their preparation and antagonistic agent against SRS-A NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1990-07-04 EP disclosed
EP-0186817-B1 3(2H)PYRIDAZINONE, PROCESS FOR ITS PREPARATION AND ANTI-ALLERGIC AGENT CONTAINING IT NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1989-08-02 EP disclosed
US-4783462-A 3(2H)pyridazinone, and anti-allergic agent containing it NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1988-11-08 US disclosed
EP-0193853-A2 3(2H)pyridazinone, process for its preparation and anti-allergic agent containing it NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1986-09-10 EP disclosed
EP-0186817-A1 3(2H)pyridazinone, process for its preparation and anti-allergic agent containing it NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1986-07-09 EP 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-20090035272-A1 Pyridazinonyl Macrocyclic Hepatitis C Serine Protease Inhibitors PRSS1, SPINT2, TMPRSS4 ALDH1A1 975/4885NPC1 322/4885MAPT 4248/4885

“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.