SCHEMBL259253

SCHEMBL259253

COc1cccc(C(=O)Nc2c(C(=O)O)oc3ncccc23)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
TSHR P16473 4/20 0.57
HSD17B10 Q99714 3/20 0.57
HPGD P15428 3/20 0.57
NPSR1 Q6W5P4 2/20 0.57
MAPK10 P53779 1/20 0.57
MAPT P10636 5/20 0.55
SMN1; SMN2 Q16637 6/20 0.53
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
RXFP1 Q9HBX9 2/20 0.52
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
ADORA3 P0DMS8 1/20 0.50
LMNA P02545 2/20 0.49
HTT P42858 1/20 0.49
RECQL P46063 1/20 0.49

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
SCHEMBL259353 0.91 MEN1 (0.70) MEN1KMT2ATSHRHSD17B10HPGD
SCHEMBL259192 0.88 MAPT (0.56) KMT2AMAPTSMN1; SMN2ALDH1A1RXFP1
SCHEMBL13298498 0.87 HPGD (0.72) MEN1KMT2ATSHRHSD17B10HPGD
SCHEMBL259335 0.84 ALDH1A1 (0.53) MEN1KMT2ATSHRHSD17B10HPGD
SCHEMBL259193 0.80 RAB9A (0.53) MEN1KMT2ANPSR1MAPTSMN1; SMN2
SCHEMBL259376 0.79 ALDH1A1 (0.41) MEN1KMT2AHPGDMAPTALDH1A1
SCHEMBL13298528 0.78 MAPT (0.56) MEN1KMT2ATSHRHSD17B10HPGD
SCHEMBL259251 0.75 KDM4E (0.58) MEN1KMT2ATSHRHSD17B10HPGD
SCHEMBL259348 0.75 ALDH1A1 (0.66) MEN1KMT2ATSHRHSD17B10HPGD
SCHEMBL14581998 0.74 HTT (0.57) MEN1KMT2ATSHRHSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067586-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2011-11-29 US disclosed
US-8067586-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2011-11-29 US disclosed
US-20100137584-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 US disclosed
US-20100137584-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 US disclosed
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 US disclosed
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 US disclosed
US-20070037805-A1 Fused heteroaryl derivatives HAYAKAWA MASAHIKO 2007-02-15 US disclosed
US-20070037805-A1 Fused heteroaryl derivatives HAYAKAWA MASAHIKO 2007-02-15 US disclosed
US-7173029-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2007-02-06 US disclosed
US-7173029-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2007-02-06 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 (3 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-20100137584-A1 FUSED HETEROARYL DERIVATIVES PIK3CD, PIK3R3, PIK3C2A MEN1 3330/4885KMT2A 1722/4885TSHR 4005/4885
US-20070037805-A1 Fused heteroaryl derivatives PIK3CD, PIK3R3, PIK3C2A MEN1 3330/4885KMT2A 1722/4885TSHR 4005/4885
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES PIK3CD, PIK3R3, PIK3C2A MEN1 3330/4885KMT2A 1722/4885TSHR 4005/4885

“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.