SCHEMBL15086397

SCHEMBL15086397

O=c1oc2cc(N3CCNCC3)ccc2cc1-c1nc2c(C(F)(F)F)cccc2o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.43
NCF1 P14598 1/20 0.41
SOS1 Q07889 5/20 0.40
HTR6 P50406 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HTR3E A5X5Y0 2/20 0.40
HTR3B O95264 2/20 0.40
HTR3A P46098 2/20 0.40
HTR3D Q70Z44 2/20 0.40
HTR3C Q8WXA8 2/20 0.40
SIGMAR1 Q99720 2/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
JAK3 P52333 1/20 0.40
HTR1D P28221 1/20 0.40
HTR2C P28335 1/20 0.40
MAPT P10636 2/20 0.39
THRB P10828 1/20 0.39
SLC16A3 O15427 1/20 0.39
KDM4E B2RXH2 1/20 0.38

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
Hydrochloric Acid SCHEMBL15069015 0.99 HRH4 (0.42) HRH4NCF1SOS1HTR6ALDH1A1
Trifluoroacetic Acid SCHEMBL15068701 0.95 BACE1 (0.42) HRH4NCF1SOS1HTR6ALDH1A1
SCHEMBL15068906 0.93 ALDH1A1 (0.40) HRH4NCF1SOS1HTR6ALDH1A1
SCHEMBL15068964 0.87 HTR7 (0.41) HTR6ALDH1A1HTR3EHTR3BHTR3A
SCHEMBL15069087 0.87 MAPT (0.40) HRH4HTR6ALDH1A1HTR3EHTR3B
Hydrochloric Acid SCHEMBL15069757 0.86 MAPT (0.40) HRH4HTR6ALDH1A1HTR3EHTR3B
Hydrochloric Acid SCHEMBL15066908 0.86 HTR7 (0.41) HTR6ALDH1A1HTR3EHTR3BHTR3A
SCHEMBL15069082 0.86 NCF1 (0.41) HRH4NCF1SOS1HTR6ALDH1A1
SCHEMBL16669959 0.86 C1R (0.43) HRH4NCF1SOS1ALDH1A1HTR3E
SCHEMBL15069129 0.85 ALDH1A1 (0.40) HTR6ALDH1A1HTR3EHTR3BHTR3A

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 14 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
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
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
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
WO-2013101974-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS, INC. (US) 2013-07-04 WO 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 HRH4 4833/4885NCF1 3477/4885SOS1 1957/4885

“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.