SCHEMBL3366797

SCHEMBL3366797

C=CC(=O)NCCN1CCSCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ZDHHC20 Q5W0Z9 1/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.40
CA2 P00918 4/20 0.39
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA9 Q16790 2/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
KRAS P01116 1/20 0.36
POLB P06746 1/20 0.35
HIF1A Q16665 1/20 0.35
TGM2 P21980 2/20 0.35
NPC1 O15118 1/20 0.34
CNR1 P21554 1/20 0.34
RAB9A P51151 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL793446 0.90 MAPK1 (0.46) MAPK1ALDH1A1TSHRTDP1ZDHHC20
SCHEMBL664690 0.84 CA12 (0.53) MAPK1ALDH1A1TSHRTDP1ZDHHC20
SCHEMBL4420717 0.82 CA12 (0.54) MAPK1ALDH1A1TSHRTDP1CA2
SCHEMBL22343645 0.81 HDAC2 (0.49) MAPK1ALDH1A1TSHRTDP1ZDHHC20
SCHEMBL730168 0.79 HSD17B10 (0.54) MAPK1ALDH1A1TSHRTDP1ZDHHC20
SCHEMBL793119 0.79 MEN1 (0.57) MAPK1ALDH1A1TSHRTDP1CA2
SCHEMBL13135947 0.77 NPSR1 (0.45) MAPK1ALDH1A1TSHRTDP1CA2
SCHEMBL12301857 0.77 ZDHHC20 (0.52) MAPK1ALDH1A1TSHRTDP1ZDHHC20
SCHEMBL15963770 0.75 MAPK1 (0.51) MAPK1ALDH1A1CA2CA12CA1
SCHEMBL7616877 0.75 NPC1 (0.46) ALDH1A1TSHRTDP1CA2CA12

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160334364-A1 GEL FOR USE IN POLYACRYLAMIDE GEL ELECTROPHORESIS AND ELECTROPHORESIS DEVICE USING SAID GEL SHARP KABUSHIKI KAISHA (JP) 2016-11-17 US disclosed
US-20100092479-A1 Compositions and methods for treatment of viral diseases COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-04-15 US disclosed
WO-2010021681-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-02-25 WO 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
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 (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 MAPK1 4679/4885ALDH1A1 2240/4885TSHR 1346/4885
US-20080161324-A1 Compositions and methods for treatment of viral diseases HAVCR2, EIF2AK2, RNASE1 MAPK1 4544/4885ALDH1A1 785/4885TSHR 4634/4885
US-20100092479-A1 Compositions and methods for treatment of viral diseases HAVCR2, RNASE1, EIF2AK2 MAPK1 4781/4885ALDH1A1 1588/4885TSHR 4341/4885

“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.