SCHEMBL5004390

SCHEMBL5004390

CCCCN(C)C(=O)C(N)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ CYP1A2 P05177 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ TACR1 P25103 1/20 0.43
▸ PSEN1 P49768 3/20 0.42
▸ PSEN2 P49810 3/20 0.42
▸ APH1B Q8WW43 3/20 0.42
▸ NCSTN Q92542 3/20 0.42
▸ APH1A Q96BI3 3/20 0.42
▸ PSENEN Q9NZ42 3/20 0.42
▸ CNR2 P34972 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.40
▸ CSNK2A2 P19784 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ CSNK2B P67870 1/20 0.40
▸ CSNK2A1 P68400 1/20 0.40
▸ ALDH1A1 P00352 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
SCHEMBL14102623 1.00 KDM4E (0.46) KDM4EATMCYP1A2GAAHPGD
Hydrochloric Acid SCHEMBL4940483 0.98 KDM4E (0.44) KDM4EATMCYP1A2GAAHPGD
Hydrochloric Acid SCHEMBL4940491 0.98 KDM4E (0.44) KDM4EATMCYP1A2GAAHPGD
SCHEMBL5664359 0.95 KDM4E (0.44) KDM4EATMCYP1A2GAAHPGD
SCHEMBL5664149 0.90 KDM4E (0.48) KDM4EATMCYP1A2GAATACR1
SCHEMBL14228918 0.86 GAA (0.47) GAAHPGDHDAC6ALDH1A1ASAH1
SCHEMBL2746465 0.84 KDM4E (0.48) KDM4EATMGAAHPGDTACR1
SCHEMBL14304965 0.84 AOC3 (0.48) KDM4EATMCYP1A2GAAHPGD
SCHEMBL4986798 0.83 SMN1; SMN2 (0.44) KDM4EATMCYP1A2GAAALDH1A1
SCHEMBL14228916 0.83 GAA (0.44) GAAHPGDALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7468378-B2 Substituted quinoline compounds PFIZER INC. (US) 2008-12-23 — — US disclosed
US-20080249130-A1 Gut microsomal triglyceride transport protein inhibitors SIRTRIS PHARMACEUTICALS, INC. (US) 2008-10-09 — — US disclosed
EP-1716137-A1 SUBSTITUTED QUINOLINE COMPOUNDS Pfizer Products Incorporated (US) 2006-11-02 — — EP disclosed
US-20050234099-A1 Substituted quinoline compounds PFIZER INC 2005-10-20 — — US disclosed
WO-2005080373-A1 SUBSTITUTED QUINOLINE COMPOUNDS PFIZER PRODUCTS INC. (US) 2005-09-01 — — 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-20080249130-A1 Gut microsomal triglyceride transport protein inhibitors MTTP, CETP, FABP2 KDM4E 2386/4885ATM 3871/4885CYP1A2 80/4885
US-20050234099-A1 Substituted quinoline compounds APOB, APOL1, MTPN KDM4E 3678/4885ATM 3042/4885CYP1A2 351/4885

“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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