SCHEMBL16651298

SCHEMBL16651298

O=C(c1ccccc1)c1cnc(N2CCN(C(=O)OCc3ccccc3)CC2)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.53
SLC6A7 Q99884 3/20 0.52
NPSR1 Q6W5P4 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 1/20 0.50
CYP2C19 P33261 1/20 0.48
HDAC3 O15379 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
GRIN2B Q13224 3/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL15344316 0.90 HDAC1 (0.55) HDAC1SLC6A7NPSR1MEN1KMT2A
SCHEMBL16651754 0.88 HDAC1 (0.56) HDAC1SLC6A7NPSR1MEN1KMT2A
SCHEMBL15344305 0.86 HDAC1 (0.54) HDAC1SLC6A7NPSR1MEN1KMT2A
SCHEMBL20425032 0.85 MEN1 (0.53) HDAC1SLC6A7NPSR1MEN1KMT2A
SCHEMBL1368419 0.82 HDAC1 (0.60) HDAC1SLC6A7NPSR1MEN1KMT2A
SCHEMBL31286939 0.82 GPR119 (0.52) HDAC1SLC6A7NPSR1MEN1KMT2A
SCHEMBL25182417 0.81 SLC6A7 (0.63) SLC6A7SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL16652543 0.81 MEN1 (0.48) HDAC1SLC6A7NPSR1MEN1KMT2A
SCHEMBL16651654 0.80 PTPN11 (0.57) SLC6A7MAPTGPR119PTPN11
SCHEMBL3970912 0.79 MEN1 (0.76) NPSR1MEN1KMT2ASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9884861-B2 Compositions useful for treating disorders related to kit BLUEPRINT MEDICINES CORPORATION (US) 2018-02-06 US disclosed
US-20170057953-A1 COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT BLUEPRINT MEDICINES CORPORATION 2017-03-02 US disclosed
US-9334263-B2 Compositions useful for treating disorders related to kit BLUEPRINT MEDICINES CORPORATION (US) 2016-05-10 US disclosed
US-20150111857-A1 COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT BLUEPRINT MEDICINES CORPORATION (US) 2015-04-23 US disclosed
WO-2015058129-A1 COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT BLUEPRINT MEDICINES CORPORATION (US) 2015-04-23 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 (2 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-20170057953-A1 COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT KIT, PRKACA, CKMT1A; CKMT1B HDAC1 3816/4885SLC6A7 3700/4885NPSR1 3460/4885
US-20150111857-A1 COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT KIT, PRKACA, CKMT1A; CKMT1B HDAC1 3816/4885SLC6A7 3700/4885NPSR1 3460/4885

“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.