SCHEMBL505172

SCHEMBL505172

COc1cccc(-c2nc3c(o2)CCNC3)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.55
SMN1; SMN2 Q16637 6/20 0.55
KDM4E B2RXH2 5/20 0.55
MAPT P10636 3/20 0.55
CASP3 P42574 1/20 0.55
SENP8 Q96LD8 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
SENP6 Q9GZR1 1/20 0.55
HPGD P15428 5/20 0.48
ALDH1A1 P00352 4/20 0.48
KMT2A Q03164 3/20 0.48
F2 P00734 1/20 0.48
NPC1 O15118 7/20 0.46
TP53 P04637 4/20 0.46
TDP1 Q9NUW8 3/20 0.46
NFKB1 P19838 2/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 2/20 0.46
HSD17B10 Q99714 2/20 0.46
GLA P06280 1/20 0.46

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
SCHEMBL504758 0.90 RAB9A (0.55) RAB9ASMN1; SMN2KDM4EMAPTCASP3
SCHEMBL30785566 0.86 PDCD1 (0.42) RAB9ASMN1; SMN2KDM4EMAPTCASP3
Hydrochloric Acid SCHEMBL504884 0.84 RAB9A (0.43) RAB9ASMN1; SMN2KDM4EMAPTHPGD
SCHEMBL504617 0.83 NPC1 (0.52) RAB9ASMN1; SMN2KDM4EMAPTHPGD
SCHEMBL12490023 0.81 HTR2C (0.48) RAB9ASMN1; SMN2MAPTHPGDNPC1
SCHEMBL505042 0.81 HTR7 (0.51) RAB9ASMN1; SMN2MAPTNPC1TP53
SCHEMBL505350 0.81 HTR7 (0.50) TP53NOTUMMAOBNISCH
Hydrochloric Acid SCHEMBL504546 0.80 HTR2C (0.47) RAB9AMAPTHPGDNPC1CD274
Hydrochloric Acid SCHEMBL505578 0.80 HTR7 (0.50) RAB9ASMN1; SMN2MAPTNPC1TP53
SCHEMBL504615 0.79 NOTUM (0.44) RAB9ASMN1; SMN2HPGDALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414340-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-02-08 EP disclosed
US-20120029190-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2012-02-02 US disclosed
WO-2010114971-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2010-10-07 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-20120029190-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 RAB9A 1722/4885SMN1; SMN2 184/4885KDM4E 2855/4885

“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.