SCHEMBL8803541

SCHEMBL8803541

O=C(Cc1ccccc1)NCCc1ccc(F)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.79
▸ EPHX2 P34913 1/20 0.79
▸ RAB9A P51151 3/20 0.71
▸ ALDH1A1 P00352 2/20 0.71
▸ CA1 P00915 3/20 0.68
▸ CA2 P00918 3/20 0.68
▸ CA12 O43570 1/20 0.68
▸ CA9 Q16790 1/20 0.68
▸ HPGD P15428 3/20 0.66
▸ GAA P10253 1/20 0.66
▸ CA5A P35218 1/20 0.65
▸ CA7 P43166 1/20 0.65
▸ CA5B Q9Y2D0 1/20 0.65
▸ NPC1 O15118 1/20 0.65
▸ MEN1 O00255 2/20 0.64
▸ KMT2A Q03164 2/20 0.64
▸ PLAAT3 P53816 1/20 0.64
▸ PLAAT5 Q96KN8 1/20 0.64
▸ PLAAT2 Q9NWW9 1/20 0.64
▸ PLAAT4 Q9UL19 1/20 0.64

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
SCHEMBL8802829 0.93 CA12 (0.75) LTA4HEPHX2RAB9AALDH1A1CA1
SCHEMBL4153733 0.90 HPGD (0.79) LTA4HEPHX2ALDH1A1CA1CA2
SCHEMBL8803161 0.86 LTA4H (0.61) LTA4HEPHX2RAB9AALDH1A1CA1
SCHEMBL4152627 0.85 TRPV1 (0.78) LTA4HEPHX2ALDH1A1CA1CA2
SCHEMBL4152553 0.85 TRPV1 (0.78) LTA4HEPHX2ALDH1A1CA1CA2
SCHEMBL8802955 0.84 ALDH1A1 (0.69) LTA4HEPHX2RAB9AALDH1A1CA1
SCHEMBL22664772 0.84 CA1 (0.69) LTA4HEPHX2ALDH1A1CA1CA2
SCHEMBL13332523 0.84 EPHX2 (0.79) LTA4HEPHX2RAB9AALDH1A1CA1
SCHEMBL6962982 0.84 CA1 (0.69) LTA4HEPHX2ALDH1A1CA1CA2
SCHEMBL28992212 0.83 ALDH1A1 (1.00) RAB9AALDH1A1CA1CA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2661436-B1 NOVEL SULFAMIDE PIPERAZINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS AND PHARMACEUTICAL USE THEREOF LEO PHARMA AS (DK) 2016-04-13 — — EP claimed
US-9233964-B2 Sulfamide piperazine derivatives as protein tyrosine kinase inhibitors and pharmaceutical use therof LEO PHARMA A/S (DK) 2016-01-12 — — US claimed
US-20130345194-A1 SUBSTITUTED CYCLOPENTYL-AZINES AS CASR-ACTIVE COMPOUNDS LEO PHARMA A/S (DK) 2013-12-26 — — US claimed
EP-2661436-A1 NOVEL SULFAMIDE PIPERAZINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS AND PHARMACEUTICAL USE THEREOF Leo Pharma A/S (DK) 2013-11-13 — — EP claimed
WO-2012093169-A1 NOVEL SULFAMIDE PIPERAZINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS AND PHARMACEUTICAL USE THEREOF LEO PHARMA A/S (DK) 2012-07-12 — — WO claimed
EP-0754041-A4 NOVEL SUBSTITUTED TRYPTAMINES, PHENALKYLAMINES AND RELATED COMPOUNDS INTERNEURON PHARMA (US) 1997-11-19 — — EP claimed
EP-0754041-A1 NOVEL SUBSTITUTED TRYPTAMINES, PHENALKYLAMINES AND RELATED COMPOUNDS INTERNEURON PHARMACEUTICALS INCORPORATED (US) 1997-01-22 — — EP claimed
WO-1995026723-A1 NOVEL SUBSTITUTED TRYPTAMINES, PHENALKYLAMINES AND RELATED COMPOUNDS INTERNEURON PHARMACEUTICALS, INC. (US) 1995-10-12 — — WO claimed
EP-2661436-B1 NOVEL SULFAMIDE PIPERAZINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS AND PHARMACEUTICAL USE THEREOF LEO PHARMA AS (DK) 2016-04-13 — — EP disclosed
US-9233964-B2 Sulfamide piperazine derivatives as protein tyrosine kinase inhibitors and pharmaceutical use therof LEO PHARMA A/S (DK) 2016-01-12 — — US disclosed
US-20130345194-A1 SUBSTITUTED CYCLOPENTYL-AZINES AS CASR-ACTIVE COMPOUNDS LEO PHARMA A/S (DK) 2013-12-26 — — US disclosed
EP-2661436-A1 NOVEL SULFAMIDE PIPERAZINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS AND PHARMACEUTICAL USE THEREOF Leo Pharma A/S (DK) 2013-11-13 — — EP disclosed
WO-2012093169-A1 NOVEL SULFAMIDE PIPERAZINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS AND PHARMACEUTICAL USE THEREOF LEO PHARMA A/S (DK) 2012-07-12 — — WO disclosed
EP-0754041-A4 NOVEL SUBSTITUTED TRYPTAMINES, PHENALKYLAMINES AND RELATED COMPOUNDS INTERNEURON PHARMA (US) 1997-11-19 — — EP disclosed
EP-0754041-A1 NOVEL SUBSTITUTED TRYPTAMINES, PHENALKYLAMINES AND RELATED COMPOUNDS INTERNEURON PHARMACEUTICALS INCORPORATED (US) 1997-01-22 — — EP disclosed
US-5580878-A TREATING SLEEP DISORDERS INTERNEURON PHARMACEUTICALS, INC. (US) 1996-12-03 — — US disclosed
WO-1995026723-A1 NOVEL SUBSTITUTED TRYPTAMINES, PHENALKYLAMINES AND RELATED COMPOUNDS INTERNEURON PHARMACEUTICALS, INC. (US) 1995-10-12 — — WO disclosed
US-5403851-A Central nervous system and psychological disorders INTERNEURON PHARMACEUTICALS, INC. (US) 1995-04-04 — — 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-20130345194-A1 SUBSTITUTED CYCLOPENTYL-AZINES AS CASR-ACTIVE COMPOUNDS JAK1, CNKSR1, TSHR LTA4H 997/4885EPHX2 2821/4885RAB9A 418/4885

“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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