SCHEMBL3361972

SCHEMBL3361972

NC1C2=C(CCCC2)N(Cc2cccc(I)c2)c2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.33
CYP1A2 P05177 1/20 0.33
GAA P10253 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CASP1 P29466 1/20 0.32
CASP3 P42574 1/20 0.32
CASP7 P55210 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
IDO1 P14902 2/20 0.32
FAAH O00519 1/20 0.32
HTR2C P28335 1/20 0.31
DPP4 P27487 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
SLC18A3 Q16572 1/20 0.31

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
SCHEMBL3366450 0.86 POLB (0.38) GAASMN1; SMN2MEN1KMT2ALMNA
SCHEMBL7674465 0.70 CDC25A (0.44) CYP1A2CYP2C19MEN1KMT2ACNR1
SCHEMBL1868600 0.69 RXFP1 (0.49) GAAMEN1KMT2AMAPT
SCHEMBL7945043 0.69 AADAT (0.40) HTR2A
SCHEMBL7935365 0.68 LTA4H (0.32) CYP2C19MEN1KMT2AIDO1HTR2C
SCHEMBL10403793 0.66 HTR2A (0.30) HTR2A
SCHEMBL7941642 0.65
Hydrochloric Acid SCHEMBL10404126 0.65
SCHEMBL2332842 0.65
SCHEMBL2336815 0.65

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 2 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

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 SIGMAR1 41/4885CYP1A2 588/4885GAA 1045/4885
US-20080161324-A1 Compositions and methods for treatment of viral diseases HAVCR2, EIF2AK2, RNASE1 SIGMAR1 2245/4885CYP1A2 1154/4885GAA 181/4885

“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.