SCHEMBL16700902

SCHEMBL16700902

Cc1ccc(NC(=O)Nc2ccc(CN(Cc3ccc(NC(=O)Nc4ccc(C)cc4)cc3)Cc3ccc(NC(=O)Nc4ccc(C)cc4)cc3)cc2)cc1.Nc1ccc(CN(Cc2ccc(N)cc2)Cc2ccc(N)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.58
▸ MAPT P10636 2/20 0.58
▸ NPC1 O15118 3/20 0.54
▸ PTPN7 P35236 1/20 0.49
▸ GHSR Q92847 1/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ CA12 O43570 2/20 0.46
▸ CA1 P00915 2/20 0.46
▸ CA2 P00918 2/20 0.46
▸ CA9 Q16790 2/20 0.46
▸ HRH3 Q9Y5N1 1/20 0.46
▸ MAPK14 Q16539 1/20 0.46
▸ POLB P06746 2/20 0.46
▸ CNR1 P21554 1/20 0.46
▸ SAE1 Q9UBE0 1/20 0.46

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
SCHEMBL16699922 0.92 NPC1 (0.62) RAB9AMAPTNPC1PTPN7SMN1; SMN2
SCHEMBL18938835 0.86 NPC1 (0.63) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL16699400 0.86 NPC1 (0.59) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL11593412 0.85 RAB9A (0.79) RAB9AMAPTNPC1PTPN7SMN1; SMN2
Hydrochloric Acid SCHEMBL15393387 0.85 NPC1 (0.57) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL16706883 0.82 ACHE (0.59) MAPTALDH1A1HRH3POLB
SCHEMBL15393495 0.81 POLB (0.54) RAB9AMAPTNPC1PTPN7SMN1; SMN2
SCHEMBL12711073 0.77 SAE1 (0.70) RAB9AMAPTNPC1PTPN7SMN1; SMN2
SCHEMBL8772924 0.76 RAB9A (1.00) RAB9AMAPTNPC1SMN1; SMN2MEN1
SCHEMBL1275920 0.76 ALDH1A1 (0.70) RAB9AMAPTNPC1PTPN7SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9951033-B2 Tertiary amines for use in the treatment of cardiac disorders UNIVERSITETET I OSLO (NO) 2018-04-24 — — US disclosed
US-9556111-B2 Tertiary amines for use in the treatment of cardiac disorders UNIVERSITETET I OSLO (NO) 2017-01-31 — — US disclosed
US-20150133510-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS UNIVERSITETET I OSLO (NO) 2015-05-14 — — 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-20150133510-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS TNNI3, TNNT2, MYLK2 RAB9A 1933/4885MAPT 1886/4885NPC1 1465/4885

“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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