SCHEMBL1294634

SCHEMBL1294634

O=C(O)CCc1cc2c(cc1I)CCC(=O)N2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 1/20 0.39
▸ HDAC3 O15379 2/20 0.38
▸ HDAC4 P56524 2/20 0.38
▸ HDAC1 Q13547 2/20 0.38
▸ HDAC2 Q92769 2/20 0.38
▸ HDAC8 Q9BY41 2/20 0.38
▸ HDAC6 Q9UBN7 2/20 0.38
▸ HDAC9 Q9UKV0 2/20 0.38
▸ MAOA P21397 6/20 0.38
▸ MAOB P27338 6/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.37
▸ CYP19A1 P11511 2/20 0.36
▸ CYP11B1 P15538 2/20 0.36
▸ CYP11B2 P19099 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ MAPK13 O15264 1/20 0.36
▸ MAPK12 P53778 1/20 0.36
▸ MAPK11 Q15759 1/20 0.36
▸ MAPK14 Q16539 1/20 0.36
▸ BRD4 O60885 1/20 0.35

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
SCHEMBL14562688 0.84 HDAC3 (0.38) CA9HDAC3HDAC4HDAC1HDAC2
SCHEMBL18648565 0.83 NPSR1 (0.56) CA9HDAC3HDAC4HDAC1HDAC2
SCHEMBL1294840 0.82 ALDH1A1 (0.42) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL14641744 0.80 CA9 (0.39) CA9MAOAMAOBCYP19A1CYP11B1
SCHEMBL1294737 0.79 MAOA (0.33) CA9MAOAMAOBBRD4CRBN
SCHEMBL1294298 0.75 MAOB (0.50) CA9MAOAMAOBNPC1MAPK13
SCHEMBL11767335 0.75 MAOA (0.50) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL23576507 0.75 RXRG (0.43) NPSR1POLB
SCHEMBL30043060 0.75 RXRG (0.43) NPSR1POLB
SCHEMBL12110597 0.75 NQO2 (0.43) NPSR1BRD4CRBN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9598434-B2 Benzazepine compound ASTELLAS PHARMA INC. (JP) 2017-03-21 — — US disclosed
US-9598434-B2 Benzazepine compound ASTELLAS PHARMA INC. (JP) 2017-03-21 — — US disclosed
US-20150315208-A1 BENZAZEPINE COMPOUND ASTELLAS PHARMA INC. (JP) 2015-11-05 — — US disclosed
US-20150315208-A1 BENZAZEPINE COMPOUND ASTELLAS PHARMA INC. (JP) 2015-11-05 — — US disclosed
US-9108977-B2 Benzazepine compound ASTELLAS PHARMA INC. (JP) 2015-08-18 — — US disclosed
US-9108977-B2 Benzazepine compound ASTELLAS PHARMA INC. (JP) 2015-08-18 — — US disclosed
US-20130059837-A1 BENZAZEPINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-03-07 — — US disclosed
US-20130059837-A1 BENZAZEPINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-03-07 — — US disclosed
EP-2546255-A1 BENZAZEPINE COMPOUND Astellas Pharma Inc. (JP) 2013-01-16 — — EP disclosed
US-20130012496-A1 BENZAZEPINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-01-10 — — US disclosed
US-20130012496-A1 BENZAZEPINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-01-10 — — US disclosed
US-20110269744-A1 Benzazepine Compound ASTELLAS PHARMA INC. (JP) 2011-11-03 — — US disclosed
US-20110269744-A1 Benzazepine Compound ASTELLAS PHARMA INC. (JP) 2011-11-03 — — US disclosed
WO-2011111817-A1 BENZAZEPINE COMPOUND アステラス製薬株式会社 (JP) 2011-09-15 — — WO 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 (4 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-20130012496-A1 BENZAZEPINE COMPOUND HTR2C, HTR2A, HTR3C CA9 4740/4885HDAC3 760/4885HDAC4 796/4885
US-20110269744-A1 Benzazepine Compound HTR2C, HTR3C, HTR2A CA9 4688/4885HDAC3 586/4885HDAC4 741/4885
US-20130059837-A1 BENZAZEPINE COMPOUND HTR2C, HTR2A, HTR3C CA9 4740/4885HDAC3 760/4885HDAC4 796/4885
US-20150315208-A1 BENZAZEPINE COMPOUND HTR2C, HTR2A, HTR3C CA9 4740/4885HDAC3 760/4885HDAC4 796/4885

“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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