SCHEMBL18026627

SCHEMBL18026627

Cn1c(=O)cc(OCC(C)(C)C)c2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.64
ALDH1A1 P00352 5/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
HPGD P15428 3/20 0.52
BRD4 O60885 3/20 0.52
LMNA P02545 1/20 0.52
RAB9A P51151 1/20 0.52
KDM4E B2RXH2 1/20 0.51
NQO2 P16083 1/20 0.51
TSHR P16473 1/20 0.51
HSD17B10 Q99714 1/20 0.51

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
SCHEMBL11375444 0.83 KCNA3 (0.69) KCNA3ALDH1A1SMN1; SMN2HPGDBRD4
SCHEMBL11389662 0.81 KCNA3 (0.74) KCNA3ALDH1A1SMN1; SMN2HPGDBRD4
SCHEMBL11384828 0.79 KCNA3 (0.64) KCNA3ALDH1A1SMN1; SMN2HPGDBRD4
SCHEMBL11385254 0.79 KCNA3 (0.77) KCNA3ALDH1A1SMN1; SMN2HPGDBRD4
SCHEMBL16364135 0.78 KCNA3 (0.63) KCNA3ALDH1A1SMN1; SMN2HPGDBRD4
SCHEMBL11387758 0.78 KCNA3 (0.80) KCNA3ALDH1A1SMN1; SMN2HPGDBRD4
SCHEMBL30783436 0.78 KCNA3 (0.61) KCNA3ALDH1A1SMN1; SMN2HPGDBRD4
SCHEMBL11379787 0.78 KCNA3 (0.61) KCNA3ALDH1A1SMN1; SMN2HPGDBRD4
SCHEMBL25493370 0.77 KCNA3 (0.78) KCNA3ALDH1A1SMN1; SMN2HPGDBRD4
SCHEMBL11385072 0.77 KCNA3 (0.78) KCNA3ALDH1A1SMN1; SMN2HPGDBRD4

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-20160244435-A1 EXPANDED THERAPEUTIC POTENTIAL IN NITROHETEROARYL ANTIMICROBIALS THE SCRIPPS RESEARCH INSTITUTE (US) 2016-08-25 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-20160244435-A1 EXPANDED THERAPEUTIC POTENTIAL IN NITROHETEROARYL ANTIMICROBIALS NQO1, TXN2, MPO KCNA3 4046/4885ALDH1A1 1589/4885SMN1; SMN2 1033/4885

“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.