SCHEMBL18938835

SCHEMBL18938835

Cc1ccc(NC(=O)Nc2ccc(CN(Cc3ccc(NC(=O)Nc4ccccc4)cc3)Cc3ccc(NC(=O)Nc4ccc(C)cc4)cc3)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 9/20 0.63
▸ RAB9A P51151 8/20 0.63
▸ SMN1; SMN2 Q16637 4/20 0.63
▸ KMT2A Q03164 3/20 0.63
▸ TP53 P04637 3/20 0.63
▸ MEN1 O00255 2/20 0.63
▸ HPGD P15428 1/20 0.63
▸ POLB P06746 2/20 0.55
▸ NOX1 Q9Y5S8 1/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ MAPT P10636 2/20 0.54
▸ SAE1 Q9UBE0 1/20 0.54
▸ UBA2 Q9UBT2 1/20 0.54
▸ CCR6 P51684 1/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ EPHX1 P07099 1/20 0.53
▸ TSHR P16473 1/20 0.53

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
SCHEMBL16699400 0.97 NPC1 (0.59) NPC1RAB9ASMN1; SMN2KMT2ATP53
Hydrochloric Acid SCHEMBL15393387 0.95 NPC1 (0.57) NPC1RAB9ASMN1; SMN2KMT2ATP53
SCHEMBL16699922 0.94 NPC1 (0.62) NPC1RAB9ASMN1; SMN2KMT2ATP53
SCHEMBL15393495 0.91 POLB (0.54) NPC1RAB9ASMN1; SMN2KMT2ATP53
SCHEMBL16700835 0.90 TP53 (0.61) NPC1RAB9ASMN1; SMN2KMT2ATP53
Hydrochloric Acid SCHEMBL16700892 0.89 TP53 (0.59) NPC1RAB9ASMN1; SMN2KMT2ATP53
SCHEMBL16700048 0.86 RORC (0.55) NPC1RAB9ASMN1; SMN2KMT2ATP53
SCHEMBL16700902 0.86 RAB9A (0.58) NPC1RAB9ASMN1; SMN2KMT2ATP53
SCHEMBL13104425 0.85 SAE1 (0.71) NPC1RAB9ASMN1; SMN2KMT2ATP53
SCHEMBL366747 0.85 SMN1; SMN2 (0.74) NPC1RAB9ASMN1; SMN2KMT2ATP53

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 2 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-20170158657-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS UNIVERSITETET I OSLO (NO) 2017-06-08 — — 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-20170158657-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS TNNI3, TNNT2, MYLK2 NPC1 1181/4885RAB9A 1672/4885SMN1; SMN2 2862/4885

“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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