SCHEMBL25694641

SCHEMBL25694641

O=c1[nH]ncc(N2CCN(Cc3ccccc3)CC2)c1Br

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TRPC5 Q9UL62 10/20 1.00
▸ ALDH1A1 P00352 2/20 0.74
▸ HSP90AA1 P07900 1/20 0.52
▸ HSP90AB1 P08238 1/20 0.52
▸ CA12 O43570 1/20 0.50
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ CA9 Q16790 1/20 0.50
▸ DRD2 P14416 3/20 0.49
▸ DRD4 P21917 3/20 0.49
▸ DRD3 P35462 3/20 0.49
▸ POLB P06746 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL20817984 0.95 TRPC5 (0.91) TRPC5ALDH1A1HSP90AA1HSP90AB1CA12
SCHEMBL4813164 0.85 ALDH1A1 (1.00) TRPC5ALDH1A1HSP90AA1HSP90AB1DRD2
SCHEMBL20818595 0.85 TRPC5 (0.74) TRPC5ALDH1A1HSP90AA1HSP90AB1DRD2
SCHEMBL20818113 0.83 TRPC5 (1.00) TRPC5ALDH1A1
SCHEMBL20831213 0.81 TRPC5 (0.77) TRPC5ALDH1A1POLB
SCHEMBL20818230 0.79 TRPC5 (0.65) TRPC5ALDH1A1HSP90AA1HSP90AB1TDP1
SCHEMBL30476388 0.79 TRPC5 (1.00) TRPC5ALDH1A1
SCHEMBL20818084 0.79 TRPC5 (1.00) TRPC5ALDH1A1
SCHEMBL20831223 0.77 TRPC5 (0.77) TRPC5ALDH1A1
SCHEMBL4814200 0.77 ALDH1A1 (0.68) TRPC5ALDH1A1HSP90AA1HSP90AB1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203028-A1 PYRIDAZINONES AND METHODS OF USE THEREOF GFB (ABC), LLC 2023-06-29 — — 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-20230203028-A1 PYRIDAZINONES AND METHODS OF USE THEREOF PDXK, ATP6V1B1, REN TRPC5 1439/4885ALDH1A1 649/4885HSP90AA1 3784/4885

“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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