SCHEMBL12443081

SCHEMBL12443081

c1ccc(COc2ccc(NCCc3ccncc3)cc2)cc1

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 2/20 0.89
▸ KCNH2 Q12809 1/20 0.89
▸ GRIN2B Q13224 1/20 0.89
▸ BCHE P06276 5/20 0.55
▸ NPC1 O15118 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ TP53 P04637 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ BLM P54132 1/20 0.52
▸ ATM Q13315 1/20 0.52
▸ CTSL P07711 1/20 0.52
▸ CTSS P25774 1/20 0.52
▸ CTSK P43235 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ LTA4H P09960 1/20 0.51
▸ HMOX1 P09601 1/20 0.51

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
SCHEMBL27960960 0.91 F2 (0.78) F2KCNH2GRIN2BBCHENPC1
Hydrochloric Acid SCHEMBL9131179 0.90 F2 (0.76) F2KCNH2GRIN2BBCHEMEN1
Hydrochloric Acid SCHEMBL5107977 0.83 F2 (0.71) F2KCNH2GRIN2BBCHEMEN1
SCHEMBL2126506 0.81 F2 (0.71) F2KCNH2GRIN2BHTTSMN1; SMN2
SCHEMBL2569220 0.81 L3MBTL1 (0.70) F2KCNH2GRIN2BHTTSMN1; SMN2
SCHEMBL7475413 0.81 F2 (0.76) F2KCNH2GRIN2BBCHENPC1
Hydrochloric Acid SCHEMBL7480873 0.80 F2 (0.74) F2KCNH2GRIN2BBCHENPC1
SCHEMBL11250146 0.80 NR4A2 (0.68) F2KCNH2GRIN2BBCHENPC1
SCHEMBL29986797 0.80 F2 (0.70) F2KCNH2GRIN2BNPC1SMN1; SMN2
SCHEMBL7316316 0.79 F2 (1.00) F2KCNH2GRIN2BBCHEMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785452-B2 Anti-infective compounds INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2014-07-22 — — US disclosed
US-8785452-B2 Anti-infective compounds INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2014-07-22 — — US disclosed
US-20110178077-A1 Anti-infective compounds INSTITUT PASTEUR KOREA (KR) 2011-07-21 — — US disclosed
US-20110178077-A1 Anti-infective compounds INSTITUT PASTEUR KOREA (KR) 2011-07-21 — — 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-20110178077-A1 Anti-infective compounds RABGGTB, ELANE, SERPINB1 F2 3267/4885KCNH2 4455/4885GRIN2B 4590/4885

“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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