SCHEMBL4580685

SCHEMBL4580685

CCOC(=O)c1cnn(-c2ccc(C(N)=O)cc2)c1O

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
TSHR P16473 2/20 0.65
RAB9A P51151 3/20 0.60
HPGD P15428 3/20 0.56
MAPT P10636 4/20 0.53
HTT P42858 2/20 0.50
TP53 P04637 2/20 0.49
NPC1 O15118 1/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 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
SCHEMBL6052432 0.84 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2TSHRRAB9AHPGD
SCHEMBL798337 0.84 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2TSHRRAB9AHPGD
SCHEMBL4578766 0.79 RIPK2 (0.49) ALDH1A1SMN1; SMN2TSHRRAB9AHPGD
SCHEMBL10340563 0.77 HTT (0.60) ALDH1A1SMN1; SMN2TSHRRAB9AHPGD
SCHEMBL16787630 0.76 ALDH1A1 (0.82) ALDH1A1SMN1; SMN2TSHRRAB9AHPGD
SCHEMBL1062661 0.76 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2TSHRRAB9AHPGD
SCHEMBL15167569 0.76 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2TSHRRAB9AHPGD
SCHEMBL27273816 0.76 HTT (0.58) ALDH1A1SMN1; SMN2TSHRRAB9AHPGD
SCHEMBL13766911 0.75 HTT (0.58) ALDH1A1SMN1; SMN2TSHRRAB9AHPGD
SCHEMBL26978013 0.75 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2TSHRRAB9AHPGD

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-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-05-22 US claimed
WO-2008024978-A2 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES SERENEX, INC. (US) 2008-02-28 WO claimed
US-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-05-22 US disclosed
US-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-05-22 US disclosed
US-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-05-22 US disclosed
WO-2008024978-A2 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES SERENEX, INC. (US) 2008-02-28 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-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives MKI67, CCNB1, RB1 ALDH1A1 440/4885SMN1; SMN2 2840/4885TSHR 2492/4885

“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.