SCHEMBL16669677

SCHEMBL16669677

CN1C[C@@H]2C[C@H]1CN2c1cc2ccccc2oc1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CHRNA7 P36544 7/20 0.41
KCNH2 Q12809 6/20 0.41
PARP1 P09874 1/20 0.41
DRD3 P35462 1/20 0.41
TYR P14679 1/20 0.41
DAO P14920 1/20 0.41
AKR1B1 P15121 1/20 0.41
HPGD P15428 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA12 O43570 1/20 0.40
CYP1A2 P05177 1/20 0.40
NT5E P21589 1/20 0.40
MAOB P27338 1/20 0.40
CA9 Q16790 1/20 0.40
CHRNB2 P17787 1/20 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
SCHEMBL16669657 0.85 DRD3 (0.45) KDM4ERAB9AALDH1A1LMNADRD3
SCHEMBL21524868 0.78 HRH4 (0.45) KDM4ERAB9AALDH1A1TYRDAO
SCHEMBL15068569 0.73 KDM4E (0.43) KDM4ERAB9AALDH1A1LMNAKCNH2
SCHEMBL15068474 0.70 HPGD (0.43) KDM4ERAB9AALDH1A1LMNATYR
SCHEMBL15068505 0.68 ALDH1A1 (0.43) KDM4ERAB9AALDH1A1LMNATYR
SCHEMBL15066938 0.68 ALDH1A1 (0.43) KDM4ERAB9AALDH1A1LMNATYR
SCHEMBL29044069 0.68 HPGD (0.50) KDM4ERAB9AALDH1A1LMNATYR
SCHEMBL17144366 0.68 HSD17B10 (0.55) KDM4ERAB9AALDH1A1LMNATYR
SCHEMBL31296651 0.67 CHRNA7 (0.41) CHRNA7KCNH2PARP1
SCHEMBL15790567 0.67 CHRNA7 (0.51) ALDH1A1CHRNA7KCNH2PARP1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE47689-E1 Compounds for treating spinal muscular atrophy PTC THERAPEUTICS, INC. (US) 2019-11-05 US disclosed
US-9617268-B2 Compounds for treating spinal muscular atrophy PTC THERAPEUTICS, INC. (US) 2017-04-11 US disclosed
US-20150119380-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY F. HOFFMANN-LA ROCHE AG (CH) 2015-04-30 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-20150119380-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY SMN1; SMN2, RBM17, RBM22 KDM4E 829/4885RAB9A 3292/4885ALDH1A1 1006/4885

“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.