SCHEMBL2894992

SCHEMBL2894992

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
HPGD P15428 2/20 0.48
NPC1 O15118 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
RAB9A P51151 1/20 0.48
EGFR P00533 2/20 0.39
KDR P35968 2/20 0.39
MAOB P27338 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TUBB4A P04350 2/20 0.39
TUBB P07437 2/20 0.39
TUBA3C P0DPH7 2/20 0.39
TUBA1B P68363 2/20 0.39
TUBA4A P68366 2/20 0.39
TUBB4B P68371 2/20 0.39
TUBB3 Q13509 2/20 0.39
TUBB2A Q13885 2/20 0.39

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
SCHEMBL2895383 0.83 KDM4E (0.49) SMN1; SMN2HPGDNPC1CYP1A2CYP2D6
SCHEMBL2902879 0.82 HTT (0.46) HPGDNPC1KDM4EKMT2AALDH1A1
SCHEMBL27771714 0.81 HPGD (0.49) SMN1; SMN2HPGDNPC1CYP1A2CYP2D6
SCHEMBL1355596 0.80 ALDH1A1 (0.45) SMN1; SMN2NPC1RAB9AKDM4EKMT2A
SCHEMBL11797464 0.78 KMT2A (0.59) SMN1; SMN2HPGDNPC1CYP1A2CYP2D6
SCHEMBL3002053 0.78 ALDH1A1 (0.51) SMN1; SMN2HPGDKDM4EKMT2AL3MBTL1
SCHEMBL2897540 0.77 KDM4E (0.50) SMN1; SMN2HPGDNPC1RAB9AKDM4E
SCHEMBL2900503 0.77 KDM4E (0.48) CYP1A2CYP2C9CYP2C19KDM4EKMT2A
SCHEMBL2899236 0.76 HTT (0.55) SMN1; SMN2NPC1RAB9AKDM4EKMT2A
SCHEMBL28089256 0.76 POLB (0.35) SMN1; SMN2ALOX15KMT2AALDH1A1

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 SMN1; SMN2 2519/4885HPGD 977/4885NPC1 4631/4885

“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.