SCHEMBL3363603

SCHEMBL3363603

CCCCCC1COCCN1N=O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.38
HTT P42858 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
EPHX1 P07099 1/20 0.37
ALDH1A1 P00352 1/20 0.35
POLB P06746 2/20 0.33
HPGD P15428 1/20 0.33
PDK1 Q15118 1/20 0.33
CYP1A2 P05177 1/20 0.32
S1PR1 P21453 2/20 0.31
S1PR3 Q99500 2/20 0.31
S1PR5 Q9H228 2/20 0.31
GRM2 Q14416 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL10677629 0.75 ALDH1A1 (0.42) PKMHTTMEN1KMT2AEPHX1
SCHEMBL27343773 0.75 PKM (0.41) PKMHTTMEN1KMT2AEPHX1
SCHEMBL20298901 0.73 ALDH1A1 (0.41) PKMHTTMEN1KMT2AEPHX1
SCHEMBL10682534 0.73 ALDH1A1 (0.41) PKMHTTMEN1KMT2AEPHX1
SCHEMBL22026829 0.71 MEN1 (0.38) PKMHTTMEN1KMT2AEPHX1
SCHEMBL16432320 0.70 POLB (0.37) PKMHTTMEN1KMT2AALDH1A1
SCHEMBL30518734 0.70 HTT (0.40) PKMHTTMEN1KMT2AEPHX1
Hydrochloric Acid SCHEMBL16432770 0.69 SLC6A4 (0.36) PKMHTTMEN1KMT2AALDH1A1
SCHEMBL10963993 0.69 POLB (0.36) PKMHTTMEN1KMT2AALDH1A1
Bromide SCHEMBL31094670 0.69 SLC6A4 (0.36) PKMHTTMEN1KMT2AALDH1A1

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-20100092479-A1 Compositions and methods for treatment of viral diseases COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-04-15 US disclosed
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 (3 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 PKM 1577/4885HTT 344/4885MEN1 3638/4885
US-20080161324-A1 Compositions and methods for treatment of viral diseases HAVCR2, EIF2AK2, RNASE1 PKM 2372/4885HTT 1522/4885MEN1 4701/4885
US-20100092479-A1 Compositions and methods for treatment of viral diseases HAVCR2, RNASE1, EIF2AK2 PKM 2868/4885HTT 597/4885MEN1 4176/4885

“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.