SCHEMBL9951079

SCHEMBL9951079

CC(=O)Oc1cccc2c1N(C(C)=O)C(C)CC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 2/20 0.39
KDM4E B2RXH2 2/20 0.38
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38
PDK1 Q15118 3/20 0.38
PDK2 Q15119 3/20 0.38
PDK3 Q15120 3/20 0.38
PDK4 Q16654 3/20 0.38
HIF1A Q16665 1/20 0.38
ACHE P22303 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36

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
SCHEMBL9564337 0.75 DRD2 (0.42) NOTUMTSHRDRD2PDK1PDK2
SCHEMBL30366447 0.72 NOTUM (0.71) NOTUMMEN1KMT2ATSHRDRD2
SCHEMBL17018045 0.72 NOTUM (0.71) NOTUMMEN1KMT2ATSHRDRD2
SCHEMBL1825815 0.72 NOTUM (0.71) NOTUMMEN1KMT2ATSHRDRD2
SCHEMBL30366703 0.72 NOTUM (0.71) NOTUMMEN1KMT2ATSHRDRD2
SCHEMBL9638220 0.70 ACHE (0.50) TSHRKDM4EMTNR1AMTNR1BALDH1A1
SCHEMBL9951338 0.69 MTNR1A (0.39) TSHRKDM4EMTNR1AMTNR1BALDH1A1
SCHEMBL18602588 0.69 HTR2C (0.42) NOTUMMEN1KMT2ATSHRMTNR1A
SCHEMBL11449146 0.66 KDM4E (0.50) KMT2ATSHRKDM4EMTNR1AMTNR1B
SCHEMBL8999060 0.66 NOTUM (0.43) NOTUMMEN1KMT2ATSHRKDM4E

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-9493419-B2 Quinoline derivatives as anti-cancer agents THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2016-11-15 US claimed
US-9493419-B2 Quinoline derivatives as anti-cancer agents THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2016-11-15 US disclosed
US-9493419-B2 Quinoline derivatives as anti-cancer agents THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2016-11-15 US disclosed
WO-2012083866-A1 QUINOLINE DERIVATIVES AS ANTI-CANCER AGENTS THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2012-06-28 WO disclosed
US-20120165370-A1 QUINOLINE DERIVATIVES AS ANTI-CANCER AGENTS THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2012-06-28 US disclosed
US-20120165370-A1 QUINOLINE DERIVATIVES AS ANTI-CANCER AGENTS THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2012-06-28 US 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-20120165370-A1 QUINOLINE DERIVATIVES AS ANTI-CANCER AGENTS H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HKDC1, HK1 NOTUM 3325/4885MEN1 1753/4885KMT2A 362/4885

“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.