SCHEMBL3360477

SCHEMBL3360477

C[C@H](NC(=O)c1ccccc1)C(=O)Oc1cccc([N+](=O)[O-])c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
KMT2A Q03164 3/20 0.43
HTT P42858 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 1/20 0.42
TTR P02766 1/20 0.42
GPR35 Q9HC97 1/20 0.42
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TP53 P04637 1/20 0.41
CXCR1 P25024 1/20 0.41
CXCR2 P25025 1/20 0.41
MAPT P10636 3/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GLA P06280 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 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
SCHEMBL27524913 0.78 GPR35 (0.50) POLBKMT2AHTTALDH1A1MEN1
SCHEMBL3102944 0.78 MAPT (0.57) KMT2AALDH1A1MEN1TTRGPR35
SCHEMBL7423312 0.76 ALDH1A1 (0.49) POLBKMT2AHTTALDH1A1MEN1
SCHEMBL10791981 0.73 ELANE (0.53) KMT2AALDH1A1MEN1RAB9ASMN1; SMN2
SCHEMBL7282922 0.72 GPR35 (0.53) POLBKMT2AHTTALDH1A1MEN1
SCHEMBL1686722 0.71 GAA (0.58) KMT2AALDH1A1MEN1NPC1RAB9A
SCHEMBL9943346 0.71 GAA (0.58) KMT2AALDH1A1MEN1NPC1RAB9A
SCHEMBL28408225 0.71 EPHX2 (0.54) POLBKMT2AHTTALDH1A1RAB9A
SCHEMBL11622271 0.70 ALDH1A1 (0.56) POLBKMT2AHTTALDH1A1MEN1
SCHEMBL9419122 0.70 GPR35 (0.53) POLBKMT2AHTTALDH1A1MEN1

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 POLB 469/4885KMT2A 1108/4885HTT 344/4885
US-20080161324-A1 Compositions and methods for treatment of viral diseases HAVCR2, EIF2AK2, RNASE1 POLB 249/4885KMT2A 2353/4885HTT 1522/4885

“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.