SCHEMBL3364550

SCHEMBL3364550

CCOc1ccc(Br)cc1C(N)=O

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.53
LMNA P02545 3/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPK1 P28482 2/20 0.50
KMT2A Q03164 2/20 0.50
POLB P06746 1/20 0.49
HPGD P15428 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TSHR P16473 3/20 0.49
MAPT P10636 1/20 0.47
AR P10275 1/20 0.47
NCOA1 Q15788 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47
HSD17B10 Q99714 1/20 0.46
DGAT1 O75907 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
SCHEMBL16997481 0.87 HPGD (0.52) PTGDR2LMNARAB9ASMN1; SMN2KMT2A
SCHEMBL17375390 0.87 MKNK1 (0.53) LMNARAB9ASMN1; SMN2MAPK1KMT2A
SCHEMBL3388835 0.86 TSHR (0.62) PTGDR2LMNASMN1; SMN2KMT2APOLB
SCHEMBL1993314 0.85 PTGDR2 (0.54) PTGDR2LMNASMN1; SMN2KMT2APOLB
SCHEMBL13064184 0.85 PTGDR2 (0.71) PTGDR2LMNARAB9ASMN1; SMN2KMT2A
SCHEMBL3388324 0.83 PTGDR2 (0.53) PTGDR2LMNARAB9ASMN1; SMN2KMT2A
SCHEMBL27685280 0.83 PTGDR2 (0.49) PTGDR2HPGDDGAT1
SCHEMBL8338075 0.83 GABRA1 (0.45) PTGDR2LMNARAB9ASMN1; SMN2MAPK1
SCHEMBL27964225 0.83 XDH (0.52) PTGDR2LMNARAB9ASMN1; SMN2KMT2A
SCHEMBL2723239 0.82 ALDH1A1 (0.56) PTGDR2LMNASMN1; SMN2KMT2APOLB

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
US-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-01-14 US disclosed
US-20080161324-A1 Compositions and methods for treatment of viral diseases EXCRX (SINGAPORE) PTE. LTD. (F.K.A. COMBINATORX (SINGAPORE) PTE LTD.) (SG) 2008-07-03 US disclosed
WO-2008033466-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PRE. LTD. (SG) 2008-03-20 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-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES HTR1A, HTR3B, HTR3A PTGDR2 3270/4885LMNA 692/4885RAB9A 4036/4885
US-20080161324-A1 Compositions and methods for treatment of viral diseases HAVCR2, EIF2AK2, RNASE1 PTGDR2 3823/4885LMNA 624/4885RAB9A 3292/4885

“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.