SCHEMBL4523487

SCHEMBL4523487

NC(=O)c1nnc([CH]c2ccccc2)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ NPC1 O15118 4/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ HPGD P15428 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ GLA P06280 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ TNIK Q9UKE5 1/20 0.36
▸ MAPT P10636 3/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ PARP1 P09874 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ PMP22 Q01453 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
SCHEMBL4533665 0.73 CHEK2 (0.35) KDM4EALDH1A1NPC1RAB9APOLB
SCHEMBL3901352 0.72 — —
Hydrochloric Acid SCHEMBL3691522 0.69 NPC1 (0.48) KDM4EALDH1A1NPC1RAB9APOLB
SCHEMBL13093635 0.68 ILK (0.50) ALDH1A1NPC1RAB9AHPGDGAA
SCHEMBL3911634 0.66 ATM (0.58) KDM4EALDH1A1NPC1RAB9APOLB
SCHEMBL2165132 0.65 SCD (0.31) ALDH1A1SCD
SCHEMBL1207103 0.63 DDX3X (0.50) KDM4EALDH1A1NPC1RAB9AHPGD
SCHEMBL770829 0.62 BCAT2 (0.52) KDM4EALDH1A1NPC1RAB9APOLB
SCHEMBL176636 0.60 MAPT (0.48) KDM4EALDH1A1POLBHPGDGLA
(Z)-1,2-Diphenylethene SCHEMBL28483617 0.60 HDAC1 (0.61) ALDH1A1GLASMN1; SMN2MAPTCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054445-A1 Amide Substituted Quinolines ASTRAZENECA AB (SE) 2009-02-26 — — US claimed
EP-1981882-A1 AMIDE SUBSTITUTED QUINOLINES AstraZeneca AB (SE) 2008-10-22 — — EP claimed
WO-2007086799-A1 AMIDE SUBSTITUTED QUINOLINES ASTRAZENECA AB (SE) 2007-08-02 — — WO claimed
US-20090054445-A1 Amide Substituted Quinolines ASTRAZENECA AB (SE) 2009-02-26 — — US disclosed
EP-1981882-A1 AMIDE SUBSTITUTED QUINOLINES AstraZeneca AB (SE) 2008-10-22 — — EP disclosed
WO-2007086799-A1 AMIDE SUBSTITUTED QUINOLINES ASTRAZENECA AB (SE) 2007-08-02 — — 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 (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-20090054445-A1 Amide Substituted Quinolines RECQL, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-0 KDM4E 1830/4885ALDH1A1 903/4885NPC1 980/4885

“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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