SCHEMBL3826858

SCHEMBL3826858

COC(=O)CCCCCC(=O)c1cccn1C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.46
▸ TSHR P16473 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ PKM P14618 2/20 0.41
▸ NFKB1 P19838 2/20 0.41
▸ NFKB2 Q00653 2/20 0.41
▸ RELA Q04206 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KAT2B Q92831 1/20 0.41
▸ PTPRC P08575 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ PTPN13 Q12923 1/20 0.40
▸ HRH2 P25021 1/20 0.40
▸ HRH1 P35367 1/20 0.40
▸ FAAH O00519 1/20 0.40

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
SCHEMBL28936624 0.83 HRH2 (0.50) MAOBMAPTHRH2HRH1
SCHEMBL11728742 0.75 MAOB (0.54) MAOBTSHRNPC1RAB9APKM
SCHEMBL7814459 0.75 MAOB (0.54) MAOBNPC1RAB9APKMNFKB1
SCHEMBL6323844 0.74 RAB9A (0.42) MAOBTSHRNPC1RAB9APKM
SCHEMBL6326645 0.72 L3MBTL1 (0.40) NPC1RAB9APKMNFKB1NFKB2
SCHEMBL6913209 0.72 TDP1 (0.71) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL6156819 0.72 TDP1 (0.71) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL4172632 0.72 TDP1 (0.71) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL29048469 0.72 TDP1 (0.71) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL5795584 0.72 MAOB (0.48) MAOBNPC1RAB9APKMNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1581535-B3 PYRROLOPYRIDAZINE DERIVATIVES ASTELLAS PHARMA INC (JP) 2009-09-02 — — EP disclosed
EP-1581535-B9 PYRROLOPYRIDAZINE DERIVATIVES ASTELLAS PHARMA INC (JP) 2008-03-19 — — EP disclosed
US-7317009-B2 Pyrrolopyridazine derivatives ASTELLAS PHARMA INC. (JP) 2008-01-08 — — US disclosed
EP-1581535-B1 PYRROLOPYRIDAZINE DERIVATIVES ASTELLAS PHARMA INC (JP) 2007-10-24 — — EP disclosed
US-7153854-B2 Pyrrolopyridazine derivatives ASTELLAS PHARMA INC. (JP) 2006-12-26 — — US disclosed
US-20060270678-A1 Pyrrolopyridazine derivatives ASTELLAS PHARMA INC. (JP) 2006-11-30 — — US disclosed
EP-1581535-A1 PYRROLOPYRIDAZINE DERIVATIVES Astellas Pharma Inc. (JP) 2005-10-05 — — EP disclosed
US-20050075342-A1 Pyrrolopyridazine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-04-07 — — US disclosed
WO-2004063197-A1 PYRROLOPYRIDAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-07-29 — — 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 (2 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-20050075342-A1 Pyrrolopyridazine derivatives PDE4A, PDE5A, PDE12 MAOB 962/4885TSHR 1549/4885CA1 2226/4885
US-20060270678-A1 Pyrrolopyridazine derivatives PDE4A, PDE5A, PDE12 MAOB 962/4885TSHR 1549/4885CA1 2226/4885

“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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