SCHEMBL12443073

SCHEMBL12443073

Brc1ccc(/C=N/Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)o1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.74
▸ MAPT P10636 11/20 0.72
▸ ALDH1A1 P00352 9/20 0.72
▸ MEN1 O00255 5/20 0.72
▸ NPSR1 Q6W5P4 4/20 0.72
▸ KDM4E B2RXH2 4/20 0.72
▸ POLB P06746 4/20 0.65
▸ TDP1 Q9NUW8 2/20 0.65
▸ MAPK1 P28482 2/20 0.59
▸ HTT P42858 7/20 0.57
▸ SMN1; SMN2 Q16637 4/20 0.56
▸ L3MBTL1 Q9Y468 2/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ LMNA P02545 4/20 0.52
▸ HPGD P15428 3/20 0.52
▸ S1PR2 O95136 1/20 0.50

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
SCHEMBL12417165 0.78 MAPT (0.66) KMT2AMAPTALDH1A1MEN1NPSR1
SCHEMBL12417212 0.77 MAPT (0.63) KMT2AMAPTALDH1A1MEN1NPSR1
SCHEMBL8232019 0.75 KMT2A (0.65) KMT2AMAPTALDH1A1MEN1NPSR1
SCHEMBL22892508 0.75 MAPT (0.71) KMT2AMAPTALDH1A1MEN1NPSR1
SCHEMBL26136383 0.75 KMT2A (0.65) KMT2AMAPTALDH1A1MEN1NPSR1
SCHEMBL26135935 0.75 KMT2A (0.65) KMT2AMAPTALDH1A1MEN1NPSR1
SCHEMBL26135049 0.75 KMT2A (0.65) KMT2AMAPTALDH1A1MEN1NPSR1
SCHEMBL12417160 0.74 MAPT (0.60) KMT2AMAPTALDH1A1MEN1NPSR1
SCHEMBL8239208 0.74 HTT (0.71) KMT2AMAPTALDH1A1MEN1NPSR1
SCHEMBL6721129 0.74 MAPT (0.65) KMT2AMAPTALDH1A1MEN1NPSR1

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 KMT2A 4781/4885MAPT 2660/4885ALDH1A1 3932/4885

“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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