SCHEMBL3364130

SCHEMBL3364130

O=c1oc2c([N+](=O)[O-])cccc2c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
ALDH1A1 P00352 3/20 0.50
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
MAPT P10636 2/20 0.49
F2 P00734 1/20 0.49
C1R P00736 1/20 0.49
PARP1 P09874 1/20 0.49
KLK3 P07288 1/20 0.47
MAOA P21397 1/20 0.45
ESR2 Q92731 1/20 0.45
NCOA1 Q15788 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
POLB P06746 1/20 0.44
LMNA P02545 1/20 0.43
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
PIK3CG P48736 1/20 0.43

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
SCHEMBL17917509 0.81 KMT2A (0.54) GPR35TDP1ALDH1A1KMT2AMEN1
SCHEMBL3198329 0.78 PIK3CD (0.51) TDP1ALDH1A1KMT2AMEN1MAPT
SCHEMBL3385902 0.77 MAOA (0.57) GPR35TDP1ALDH1A1KMT2AMEN1
SCHEMBL30880452 0.74 ESR2 (0.57) GPR35ALDH1A1KMT2AMAPTF2
SCHEMBL16484950 0.74 ALDH1A1 (0.55) GPR35TDP1ALDH1A1KMT2AMEN1
SCHEMBL15775344 0.73 MAOA (0.57) GPR35TDP1ALDH1A1KMT2AMEN1
SCHEMBL4778868 0.72 GPR35 (0.63) GPR35TDP1ALDH1A1KMT2AMEN1
SCHEMBL8640322 0.72 GPR35 (0.56) GPR35TDP1ALDH1A1KMT2AMEN1
SCHEMBL1684003 0.71 TDP1 (0.67) GPR35TDP1ALDH1A1KMT2AMEN1
SCHEMBL29765205 0.71 TDP1 (0.67) GPR35TDP1ALDH1A1KMT2AMEN1

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 GPR35 624/4885TDP1 1548/4885ALDH1A1 2240/4885
US-20080161324-A1 Compositions and methods for treatment of viral diseases HAVCR2, EIF2AK2, RNASE1 GPR35 3664/4885TDP1 2846/4885ALDH1A1 785/4885

“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.