SCHEMBL2902879

SCHEMBL2902879

COc1cc[c]cc1NC(=O)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 1/20 0.43
MDM4 O15151 1/20 0.42
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 2/20 0.41
ATM Q13315 1/20 0.41
CETP P11597 1/20 0.41
MAPT P10636 1/20 0.40
NPC1 O15118 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LPAR1 Q92633 1/20 0.40

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
SCHEMBL1569951 0.88 HTT (0.46) HTTALDH1A1KDM4EHPGDMDM4
SCHEMBL2897540 0.85 KDM4E (0.50) HTTALDH1A1KDM4EHPGDGAA
SCHEMBL1355596 0.82 ALDH1A1 (0.45) HTTALDH1A1KDM4ETP53GAA
SCHEMBL2894992 0.82 SMN1; SMN2 (0.48) ALDH1A1KDM4EHPGDKMT2ANPC1
SCHEMBL1452105 0.82 MDM4 (0.49) HTTALDH1A1KDM4EHPGDMDM4
SCHEMBL28089256 0.81 POLB (0.35) HTTALDH1A1TP53GAAKMT2A
SCHEMBL3002053 0.81 ALDH1A1 (0.51) HTTALDH1A1KDM4EHPGDTP53
SCHEMBL2900761 0.80 MDM4 (0.47) HTTALDH1A1KDM4EHPGDMDM4
SCHEMBL2900503 0.79 KDM4E (0.48) ALDH1A1KDM4EGAAKMT2ATSHR
SCHEMBL1355211 0.79 KMT2A (0.52) ALDH1A1KDM4EGAAKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides BAYER CROPSCIENCE AG (DE) 2010-12-02 US disclosed
EP-2236505-A1 Acylated aminopyridines and pyridazines as insecticides Bayer CropScience AG (DE) 2010-10-06 EP 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-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides AAAS, DDT, QDPR HTT 2101/4885ALDH1A1 551/4885KDM4E 762/4885

“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.