SCHEMBL2175477

SCHEMBL2175477

COC(=O)c1c(OC)ccc2[nH]ccc(=O)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 4/20 0.41
▸ MTNR1B P49286 4/20 0.41
▸ HTR3E A5X5Y0 1/20 0.40
▸ HTR3B O95264 1/20 0.40
▸ HTR3A P46098 1/20 0.40
▸ HTR3D Q70Z44 1/20 0.40
▸ HTR3C Q8WXA8 1/20 0.40
▸ BACE1 P56817 2/20 0.38
▸ TUBB4A P04350 1/20 0.37
▸ TUBB P07437 1/20 0.37
▸ TUBA3C P0DPH7 1/20 0.37
▸ TUBA1B P68363 1/20 0.37
▸ TUBA4A P68366 1/20 0.37
▸ TUBB4B P68371 1/20 0.37
▸ TUBB3 Q13509 1/20 0.37
▸ TUBB2A Q13885 1/20 0.37
▸ TUBB8 Q3ZCM7 1/20 0.37
▸ TUBA3E Q6PEY2 1/20 0.37
▸ TUBA1A Q71U36 1/20 0.37
▸ TUBA1C Q9BQE3 1/20 0.37

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
SCHEMBL17137303 0.86 ULK1 (0.37) MTNR1AMTNR1BTUBB4ATUBBTUBA3C
SCHEMBL3953673 0.80 MTNR1A (0.53) MTNR1AMTNR1BHTR3EHTR3BHTR3A
SCHEMBL7293260 0.78 MTNR1A (0.39) MTNR1AMTNR1BBACE1TUBB4ATUBB
Hydrochloric Acid SCHEMBL7291781 0.77 MTNR1A (0.38) MTNR1AMTNR1BBACE1TUBB4ATUBB
SCHEMBL3957816 0.77 NR4A2 (0.43) MTNR1AMTNR1BNR4A2NQO2
SCHEMBL5739495 0.75 HTR1A (0.47) MTNR1AMTNR1BBACE1TUBB4ATUBB
SCHEMBL16431528 0.75 IMPDH2 (0.39) MTNR1AMTNR1BTUBB4ATUBBTUBA3C
SCHEMBL4428316 0.74 CA12 (0.41) MAPTGLAGAACA12CA1
SCHEMBL23906420 0.73 NR4A2 (0.40) GLAGAACA12CA1CA2
SCHEMBL30251644 0.73 NR4A2 (0.40) GLAGAACA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7973164-B2 Quinoline derivatives ASTRAZENECA AB (SE) 2011-07-05 — — US disclosed
US-20090076075-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2009-03-19 — — US disclosed
US-20090076074-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2009-03-19 — — US disclosed
EP-1994024-A2 QUINOLINE DERIVATIVES AstraZeneca AB (SE) 2008-11-26 — — EP disclosed
EP-1994025-A1 QUINOLINE DERIVATIVES AstraZeneca AB (SE) 2008-11-26 — — EP disclosed
WO-2007099323-A2 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2007-09-07 — — WO disclosed
WO-2007099326-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2007-09-07 — — 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-20090076075-A1 QUINOLINE DERIVATIVES RECQL, NQO2, NRAS MTNR1A 297/4885MTNR1B 359/4885HTR3E 2110/4885
US-20090076074-A1 QUINOLINE DERIVATIVES RECQL, NQO2, CCNA1 MTNR1A 291/4885MTNR1B 345/4885HTR3E 2087/4885

“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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