SCHEMBL15069422

SCHEMBL15069422

CN1CCCN(c2cc(F)c3cc(-c4cn5cccnc5n4)c(=O)oc3c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.50
KDM4E B2RXH2 11/20 0.50
NPC1 O15118 8/20 0.50
RAB9A P51151 8/20 0.50
HPGD P15428 7/20 0.50
GAA P10253 6/20 0.50
HSD17B10 Q99714 5/20 0.50
MAPT P10636 5/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TP53 P04637 2/20 0.50
TSHR P16473 1/20 0.50
GLA P06280 4/20 0.36
USP2 O75604 1/20 0.35
ESR1 P03372 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL16670126 0.97 ALDH1A1 (0.53) ALDH1A1KDM4ENPC1RAB9AHPGD
SCHEMBL15068855 0.87 ALDH1A1 (0.51) ALDH1A1KDM4ENPC1RAB9AHPGD
SCHEMBL15086221 0.87 ALDH1A1 (0.54) ALDH1A1KDM4ENPC1RAB9AHPGD
SCHEMBL15066298 0.85 ALDH1A1 (0.60) ALDH1A1KDM4ENPC1RAB9AHPGD
SCHEMBL15068477 0.83 DGAT1 (0.36) ALDH1A1KDM4ENPC1RAB9AHPGD
SCHEMBL15069316 0.82 NPC1 (0.36) ALDH1A1NPC1RAB9AHSD17B10MAPT
SCHEMBL15069060 0.82 ALDH1A1 (0.51) ALDH1A1KDM4ENPC1RAB9AHPGD
SCHEMBL15066946 0.81 NPC1 (0.54) ALDH1A1KDM4ENPC1RAB9AHPGD
SCHEMBL16826588 0.81 ALDH1A1 (0.47) ALDH1A1KDM4ENPC1RAB9AHPGD
SCHEMBL15069010 0.81 ALDH1A1 (0.64) ALDH1A1KDM4ENPC1RAB9AHPGD

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 15 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 claimed
EP-2797592-B1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS INC (US) 2019-08-28 EP claimed
US-9617268-B2 Compounds for treating spinal muscular atrophy PTC THERAPEUTICS, INC. (US) 2017-04-11 US claimed
WO-2015095449-A1 METHODS FOR MODULATING THE AMOUNT RNA TRANSCRIPTS PTC THERAPEUTICS, INC. (US) 2015-06-25 WO claimed
US-20150119380-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY F. HOFFMANN-LA ROCHE AG (CH) 2015-04-30 US claimed
EP-2797592-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC Therapeutics, Inc. (US) 2014-11-05 EP claimed
WO-2013101974-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS, INC. (US) 2013-07-04 WO claimed
US-RE47689-E1 Compounds for treating spinal muscular atrophy PTC THERAPEUTICS, INC. (US) 2019-11-05 US disclosed
EP-2797592-B1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS INC (US) 2019-08-28 EP disclosed
EP-2797592-B1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS INC (US) 2019-08-28 EP disclosed
US-9617268-B2 Compounds for treating spinal muscular atrophy PTC THERAPEUTICS, INC. (US) 2017-04-11 US disclosed
US-9617268-B2 Compounds for treating spinal muscular atrophy PTC THERAPEUTICS, INC. (US) 2017-04-11 US disclosed
WO-2015095449-A1 METHODS FOR MODULATING THE AMOUNT RNA TRANSCRIPTS PTC THERAPEUTICS, INC. (US) 2015-06-25 WO disclosed
US-20150119380-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY F. HOFFMANN-LA ROCHE AG (CH) 2015-04-30 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 ALDH1A1 1006/4885KDM4E 829/4885NPC1 4329/4885

“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.