SCHEMBL13720975

SCHEMBL13720975

O=C(C[C@H]1C[C@@H]2CC[C@H]1C2)Nn1nc(N2CCCCC2)c2ccccc2c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ HPGD P15428 3/20 0.41
▸ ALDH1A1 P00352 5/20 0.39
▸ HTT P42858 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ P2RX7 Q99572 1/20 0.39
▸ LMNA P02545 4/20 0.38
▸ HTR1A P08908 4/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ RECQL P46063 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ DRD2 P14416 2/20 0.36
▸ ADRA2C P18825 2/20 0.36
▸ HTR2A P28223 2/20 0.36
▸ ABCB11 O95342 1/20 0.36

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
SCHEMBL13720976 1.00 RAB9A (0.42) RAB9AMEN1KMT2ANPC1HPGD
SCHEMBL13720891 0.99 HPGD (0.41) RAB9AMEN1KMT2ANPC1HPGD
SCHEMBL13720892 0.99 HPGD (0.41) RAB9AMEN1KMT2ANPC1HPGD
SCHEMBL13720400 0.90 HPGD (0.41) RAB9AMEN1KMT2ANPC1HPGD
SCHEMBL13720402 0.90 HPGD (0.41) RAB9AMEN1KMT2ANPC1HPGD
SCHEMBL13721153 0.90 HPGD (0.41) RAB9AKMT2AHPGDALDH1A1HTT
SCHEMBL13721154 0.90 HPGD (0.41) RAB9AKMT2AHPGDALDH1A1HTT
SCHEMBL13720796 0.89 HPGD (0.39) RAB9AMEN1KMT2ANPC1HPGD
SCHEMBL13720797 0.89 HPGD (0.39) RAB9AMEN1KMT2ANPC1HPGD
SCHEMBL13720802 0.89 HPGD (0.39) RAB9AMEN1KMT2ANPC1HPGD

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-8859549-B2 Potassium channel modulators ABBVIE, INC. (US) 2014-10-14 — — US claimed
US-20120289500-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2012-11-15 — — US claimed
US-8859549-B2 Potassium channel modulators ABBVIE, INC. (US) 2014-10-14 — — US disclosed
US-20120289500-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2012-11-15 — — 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-20120289500-A1 POTASSIUM CHANNEL MODULATORS KCNQ1, KCNQ2, KCNJ2 RAB9A 1391/4885MEN1 1274/4885KMT2A 574/4885

“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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