SCHEMBL4825349

SCHEMBL4825349

c1ccc([C]2CCCCN2)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.48
▸ LMNA P02545 3/20 0.48
▸ CCR1 P32246 2/20 0.48
▸ CCR5 P51681 2/20 0.48
▸ CCR8 P51685 2/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ METAP1 P53582 1/20 0.48
▸ BLM P54132 1/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ DOHH Q9BU89 1/20 0.48
▸ P4HTM Q9NXG6 1/20 0.48
▸ NISCH Q9Y2I1 1/20 0.46
▸ NPC1 O15118 6/20 0.42
▸ RAB9A P51151 5/20 0.42
▸ TP53 P04637 4/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ TDP1 Q9NUW8 3/20 0.42
▸ ALOX15 P16050 3/20 0.42
▸ L3MBTL1 Q9Y468 3/20 0.42

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
SCHEMBL28038776 0.94 KDM4E (0.50) KDM4ELMNACCR1CCR5CCR8
SCHEMBL497780 0.73 KDM4E (0.59) KDM4ELMNACCR1CCR5CCR8
SCHEMBL8458131 0.72 KDM4E (0.46) KDM4ELMNACCR1CCR5CCR8
SCHEMBL27759356 0.71 NISCH (0.44) KDM4ENISCHNPC1RAB9ASMN1; SMN2
SCHEMBL645424 0.71 KDM4E (0.56) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL6885910 0.71 KDM4E (0.93) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL8655605 0.71 KDM4E (0.93) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL29189121 0.70 KDM4E (0.70) KDM4ELMNACCR1CCR5CCR8
SCHEMBL4400222 0.69 KDM4E (0.59) KDM4ELMNACCR1CCR5CCR8
SCHEMBL1515109 0.69 KDM4E (0.59) KDM4ELMNACCR1CCR5CCR8

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102414197-B insecticidal pyridine compounds DOW AGROSCIENCES LLC (US) 2015-11-25 — — CN disclosed
US-7399884-B2 Histone deacetylase inhibitors TAKEDA SAN DIEGO, INC. (US) 2008-07-15 — — US disclosed
US-20070232654-A1 Novel Compounds and Compositions as Cathepsin Inhibitors AXYS PHARMACEUTICALS, INC. (US) 2007-10-04 — — US disclosed
US-20070203138-A1 Novel Compounds and Compositions as Cathepsin S Inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-08-30 — — US disclosed
US-7250514-B1 Histone deacetylase inhibitors TAKEDA SAN DIEGO, INC. (US) 2007-07-31 — — US disclosed
US-20070149495-A1 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2007-06-28 — — US disclosed
US-20070135386-A1 Novel Compounds and Compositions as Cathepsin Inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-06-14 — — US disclosed
US-7226921-B2 Compounds and compositions as cathepsin S inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-06-05 — — US disclosed
US-7196099-B2 Compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-03-27 — — US disclosed
US-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-03-01 — — US disclosed
WO-2003042197-A1 OLIGOPEPTIDES AND COMPOSITIONS CONTAINING THEM AS CATHEPSIN S INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2003-05-22 — — WO disclosed
WO-2003024923-A1 SULFONAMIDE COMPOUNDS AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2003-03-27 — — WO disclosed
WO-2002098406-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-12-12 — — WO disclosed
US-6492362-B1 Compounds and compositions as cathepsin S inhibitors AXYS PHARMACEUTICALS, INC. 2002-12-10 — — US disclosed
US-6476026-B1 Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. 2002-11-05 — — US disclosed
US-6455502-B1 Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. 2002-09-24 — — US disclosed
WO-2002051983-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-07-04 — — WO disclosed
US-20020086996-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2002-07-04 — — US disclosed
WO-2001068645-A2 N-CYANOMETHYLCARBOXAMIDES AND THEIR USE AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-09-20 — — WO disclosed
WO-2001019808-A1 CHEMICAL COMPOUNDS AND COMPOSITIONS AND THEIR USE AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-03-22 — — 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 (6 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-20070203138-A1 Novel Compounds and Compositions as Cathepsin S Inhibitors CTSS, CTSB, CTSE KDM4E 4451/4885LMNA 1856/4885CCR1 2081/4885
US-20020086996-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 KDM4E 2428/4885LMNA 1379/4885CCR1 1663/4885
US-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE KDM4E 4386/4885LMNA 1707/4885CCR1 1976/4885
US-20070232654-A1 Novel Compounds and Compositions as Cathepsin Inhibitors CTSS, CTSB, CTSE KDM4E 4386/4885LMNA 1707/4885CCR1 1976/4885
US-20070135386-A1 Novel Compounds and Compositions as Cathepsin Inhibitors CTSS, CTSB, CTSE KDM4E 4317/4885LMNA 1701/4885CCR1 2140/4885
US-20070149495-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC11 KDM4E 170/4885LMNA 899/4885CCR1 1797/4885

“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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