SCHEMBL6455572

SCHEMBL6455572

O=C(CCC(=O)c1ccccc1)Nc1c[nH]c2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 2/20 0.63
WNT3A P56704 2/20 0.63
KDM1A O60341 1/20 0.52
ADAM17 P78536 1/20 0.50
ALDH1A1 P00352 3/20 0.49
STING1 Q86WV6 5/20 0.48
MAPT P10636 4/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
MGAM O43451 1/20 0.48
GAA P10253 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
PKM P14618 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
HDAC3 O15379 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC11 Q96DB2 2/20 0.46

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
SCHEMBL4092376 0.82 STING1 (0.59) KDM1AALDH1A1STING1MAPTMEN1
SCHEMBL5142090 0.79 STING1 (0.55) ALDH1A1STING1MAPTGAALMNA
SCHEMBL7543952 0.79 STING1 (0.55) STING1MAPTMEN1KMT2APKM
SCHEMBL4103760 0.78 STING1 (0.60) STING1LMNA
SCHEMBL27522079 0.78 STING1 (0.54) ALDH1A1STING1MAPTGAA
SCHEMBL15969761 0.78 CTNNB1 (1.00) CTNNB1WNT3AKDM1AADAM17ALDH1A1
SCHEMBL4099310 0.78 STING1 (0.54) KDM1AALDH1A1STING1MAPTMEN1
SCHEMBL27144986 0.78 MAPT (0.54) KDM1AALDH1A1STING1MAPTMEN1
SCHEMBL384965 0.77 STING1 (0.63) STING1MEN1KMT2A
SCHEMBL28736881 0.75 STING1 (0.74) ALDH1A1STING1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 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-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 CTNNB1 4405/4885WNT3A 4118/4885KDM1A 1817/4885

“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.