SCHEMBL3617445

SCHEMBL3617445

Cn1c(C#N)c(-c2ccccc2)c2ccc([N+](=O)[O-])cc2c1=O

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.69
▸ KMT2A Q03164 6/20 0.69
▸ CRHBP P24387 1/20 0.69
▸ CRHR2 Q13324 1/20 0.69
▸ TDP1 Q9NUW8 1/20 0.69
▸ F2RL3 Q96RI0 7/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ MAPT P10636 4/20 0.49
▸ LMNA P02545 2/20 0.49
▸ F2R P25116 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ NPC1 O15118 1/20 0.46
▸ HSP90AA1 P07900 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ CYP19A1 P11511 1/20 0.43
▸ FASN P49327 1/20 0.43

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
SCHEMBL3624592 0.78 KCNA5 (0.58) MEN1KMT2ACRHBPCRHR2TDP1
SCHEMBL3622912 0.76 KCNA5 (0.45) MEN1KMT2ACRHBPCRHR2TDP1
SCHEMBL3627056 0.75 KCNA5 (0.48) MEN1KMT2ACRHBPCRHR2TDP1
SCHEMBL3624343 0.75 KCNA5 (0.44) MEN1KMT2ACRHBPCRHR2TDP1
SCHEMBL3627274 0.75 DPP4 (0.47) ALDH1A1
SCHEMBL3621940 0.75 DPP4 (0.62) ALDH1A1
SCHEMBL3616349 0.73 KCNA5 (0.64) MEN1KMT2AALDH1A1SMN1; SMN2NPSR1
SCHEMBL3621922 0.73 KCNA5 (0.45) ALDH1A1
SCHEMBL3625816 0.72 KCNA5 (0.44) MEN1KMT2AALDH1A1
SCHEMBL3615404 0.72 TACR1 (0.47) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7763614-B2 Isoquinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-07-27 — — US claimed
US-20070054892-A1 Isoquinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. 2007-03-08 — — US claimed
CN-1856477-A Isoquinoline potassium channel inhibitors MERCK & CO INC (US) 2006-11-01 — — CN claimed
US-7763614-B2 Isoquinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-07-27 — — US disclosed
US-20070054892-A1 Isoquinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. 2007-03-08 — — US disclosed
CN-1856477-A Isoquinoline potassium channel inhibitors MERCK & CO INC (US) 2006-11-01 — — CN 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-20070054892-A1 Isoquinoline potassium channel inhibitors KCNQ1, KCNQ2, KCNQ5 MEN1 2303/4885KMT2A 534/4885CRHBP 4745/4885

“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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