SCHEMBL16700835

SCHEMBL16700835

O=C(Nc1ccccc1)Nc1ccc(CN(Cc2ccccc2)Cc2ccc(NC(=O)Nc3ccccc3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.61
▸ SMN1; SMN2 Q16637 2/20 0.61
▸ EPHX1 P07099 1/20 0.61
▸ TSHR P16473 1/20 0.61
▸ EPHX2 P34913 1/20 0.61
▸ CDK9 P50750 1/20 0.61
▸ CLK4 Q9HAZ1 1/20 0.61
▸ ALDH1A1 P00352 1/20 0.59
▸ NPSR1 Q6W5P4 1/20 0.59
▸ CASP3 P42574 1/20 0.58
▸ SENP7 Q9BQF6 1/20 0.58
▸ MAOA P21397 2/20 0.56
▸ MAOB P27338 2/20 0.56
▸ RORC P51449 1/20 0.56
▸ NPC1 O15118 4/20 0.56
▸ RAB9A P51151 4/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ NOX1 Q9Y5S8 1/20 0.56
▸ HIF1A Q16665 1/20 0.55

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
Hydrochloric Acid SCHEMBL16700892 0.98 TP53 (0.59) TP53SMN1; SMN2EPHX1TSHREPHX2
SCHEMBL16700048 0.92 RORC (0.55) TP53SMN1; SMN2EPHX1TSHREPHX2
SCHEMBL16699400 0.90 NPC1 (0.59) TP53SMN1; SMN2ALDH1A1RORCNPC1
SCHEMBL16699565 0.90 RAB9A (0.59) SMN1; SMN2ALDH1A1MAOBRORCNPC1
SCHEMBL18938835 0.90 NPC1 (0.63) TP53SMN1; SMN2EPHX1TSHREPHX2
Hydrochloric Acid SCHEMBL15393387 0.89 NPC1 (0.57) TP53SMN1; SMN2ALDH1A1RORCNPC1
Hydrochloric Acid SCHEMBL16701115 0.89 RAB9A (0.57) SMN1; SMN2ALDH1A1MAOBRORCNPC1
SCHEMBL15393495 0.85 POLB (0.54) TP53SMN1; SMN2ALDH1A1RORCNPC1
SCHEMBL31054263 0.84 LSS (0.60) TP53SMN1; SMN2EPHX1TSHREPHX2
SCHEMBL16699327 0.84 KMT2A (0.53) SMN1; SMN2ALDH1A1MAOBRORCNPC1

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 10 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-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
US-20170158657-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS UNIVERSITETET I OSLO (NO) 2017-06-08 — — US disclosed
US-9585880-B2 Cyclic amino compounds for use in the treatment of cardiac disorders UNIVERSITETET I OSLO (NO) 2017-03-07 — — 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-9556111-B2 Tertiary amines for use in the treatment of cardiac disorders UNIVERSITETET I OSLO (NO) 2017-01-31 — — US disclosed
US-20150141456-A1 CYCLIC AMINO COMPOUNDS FOR USE IN THE TREATMENT OF CARDIAC DISORDERS UNIVERSITETET I OSLO (NO) 2015-05-21 — — US disclosed
US-20150133510-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS UNIVERSITETET I OSLO (NO) 2015-05-14 — — 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 (3 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 TP53 4770/4885SMN1; SMN2 2862/4885EPHX1 2467/4885
US-20150133510-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS TNNI3, TNNT2, MYLK2 TP53 4732/4885SMN1; SMN2 3065/4885EPHX1 2633/4885
US-20150141456-A1 CYCLIC AMINO COMPOUNDS FOR USE IN THE TREATMENT OF CARDIAC DISORDERS TNNI3, TNNT2, AKAP8L TP53 4812/4885SMN1; SMN2 3721/4885EPHX1 3290/4885

“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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