SCHEMBL3362000

SCHEMBL3362000

Nc1c2ccc(Cl)cc2nc2ccc(OP(=O)(O)O)cc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
TERT O14746 1/20 0.45
ABCB11 O95342 1/20 0.45
LMNA P02545 1/20 0.45
THRB P10828 1/20 0.45
BLM P54132 1/20 0.45
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MBNL1 Q9NR56 1/20 0.43
PHLPP2 Q6ZVD8 1/20 0.42
ACHE P22303 3/20 0.40
BCHE P06276 2/20 0.40

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
SCHEMBL29445571 0.80 APP (0.70) APPKMT2AMEN1TERTABCB11
SCHEMBL12488031 0.80 APP (0.70) APPKMT2AMEN1TERTABCB11
SCHEMBL106725 0.80 APP (0.70) APPKMT2AMEN1TERTABCB11
SCHEMBL29365544 0.80 APP (0.70) APPKMT2AMEN1TERTABCB11
SCHEMBL16554120 0.76 MEN1 (0.76) APPKMT2AMEN1TERTABCB11
Acridine SCHEMBL28132121 0.72 APP (0.60) APPKMT2AMEN1TERTABCB11
SCHEMBL20008613 0.72 NR4A2 (0.53) KMT2ALMNAACHEBCHECHRM1
SCHEMBL4540441 0.72 APP (0.58) APPKMT2AMEN1LMNAKDM4E
SCHEMBL7795994 0.71 ACHE (0.67) APPKMT2ALMNAKDM4EALDH1A1
SCHEMBL11057550 0.68 ACHE (0.67) KMT2ALMNAKDM4EALDH1A1MAPT

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 APP 437/4885KMT2A 1108/4885MEN1 3638/4885
US-20080161324-A1 Compositions and methods for treatment of viral diseases HAVCR2, EIF2AK2, RNASE1 APP 1540/4885KMT2A 2353/4885MEN1 4701/4885

“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.