SCHEMBL505042

SCHEMBL505042

Clc1cccc(-c2nc3c(o2)CCNC3)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.51
NPC1 O15118 1/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
RAB9A P51151 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTR2C P28335 2/20 0.43
NOTUM Q6P988 2/20 0.43
IKBKB O14920 1/20 0.41
HTR6 P50406 2/20 0.40
MAOB P27338 5/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
MAOA P21397 2/20 0.39
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39

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 SCHEMBL505578 0.99 HTR7 (0.50) HTR7NPC1TP53TSHRNFKB1
SCHEMBL30785551 0.84 HTR6 (0.48) HTR7NPC1TP53TSHRRAB9A
SCHEMBL12490023 0.84 HTR2C (0.48) HTR7NPC1RAB9ASMN1; SMN2HTR2C
SCHEMBL505350 0.84 HTR7 (0.50) HTR7TP53HTR2CNOTUMHTR6
SCHEMBL504617 0.84 NPC1 (0.52) HTR7NPC1TP53TSHRRAB9A
Hydrochloric Acid SCHEMBL504546 0.83 HTR2C (0.47) HTR7NPC1RAB9AHTR2CMAPT
SCHEMBL504615 0.82 NOTUM (0.44) NPC1RAB9ASMN1; SMN2NOTUMMAOB
SCHEMBL505172 0.81 RAB9A (0.55) NPC1TP53NFKB1RAB9ANFKB2
SCHEMBL17984543 0.80 HTR6 (0.37) HTR7RAB9AHTR2CNOTUMHTR6
Hydrochloric Acid SCHEMBL19664813 0.78 HTR6 (0.36) HTR7RAB9AHTR2CNOTUMHTR6

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 HTR7 419/4885NPC1 1427/4885TP53 4586/4885

“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.