SCHEMBL11297084

SCHEMBL11297084

O=Cc1ccc(N2CCCCC2)cc1O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.71
PIK3CA P42336 1/20 0.71
PIK3CB P42338 1/20 0.71
PIK3CG P48736 1/20 0.71
PRKDC P78527 1/20 0.71
ALDH1A1 P00352 5/20 0.58
SMN1; SMN2 Q16637 3/20 0.53
KDM4E B2RXH2 1/20 0.53
TRIM24 O15164 2/20 0.50
TRIM33 Q9UPN9 2/20 0.50
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
MAPT P10636 3/20 0.49
GAA P10253 2/20 0.49
TERT O14746 2/20 0.46
SLC16A3 O15427 2/20 0.44
SLC16A1 P53985 2/20 0.44
LMNA P02545 2/20 0.43
TNNI3 P19429 1/20 0.43
TNNT2 P45379 1/20 0.43

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
SCHEMBL7039585 0.98 PIK3CD (0.73) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL18493255 0.95 PRKDC (0.73) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL27263501 0.85 PIK3CD (0.61) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL30826872 0.85 PIK3CD (0.61) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL3664146 0.83 PRKDC (1.00) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL11262976 0.83 PIK3CD (0.68) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL29458331 0.83 PRKDC (1.00) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL4515429 0.83 PIK3CD (0.68) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
Hydrochloric Acid SCHEMBL25231967 0.82 PIK3CD (0.66) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL15065809 0.81 PRKDC (0.64) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC

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-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
WO-2013068592-A1 INHIBITORS OF CYSTATHIONINE BETA SYNTHASE TO REDUCE THE NEUROTOXIC OVERPRODUCTION OF ENDOGENOUS HYDROGEN SULFIDE FONDATION JEROME LEJEUNE (FR) 2013-05-16 WO disclosed
EP-0010740-B1 SPIRODIPYRANES AND THEIR USE AS COLOUR FORMERS IN COPYING PROCESSES BASF Aktiengesellschaft (DE) 1982-04-21 EP disclosed
US-4260776-A PYRAZOLONE BAYER AKTIENGESELLSCHAFT (DE) 1981-04-07 US disclosed
EP-0010740-A1 Spirodipyranes and their use as colour formers in copying processes BASF Aktiengesellschaft (DE) 1980-05-14 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-20150119380-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY SMN1; SMN2, RBM17, RBM22 PIK3CD 3763/4885PIK3CA 2932/4885PIK3CB 3181/4885

“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.