SCHEMBL3364558

SCHEMBL3364558

NC(=O)/C=C/c1cccc(Br)c1

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HSD17B3 P37058 1/20 0.73
▸ PKM P14618 1/20 0.63
▸ SLC6A19 Q695T7 1/20 0.58
▸ BACE1 P56817 1/20 0.58
▸ CYP2D6 P10635 1/20 0.56
▸ CYP1B1 Q16678 1/20 0.56
▸ MAOB P27338 3/20 0.54
▸ MAOA P21397 2/20 0.54
▸ ALDH1A1 P00352 3/20 0.52
▸ RELA Q04206 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ MDM2 Q00987 1/20 0.51
▸ ATM Q13315 1/20 0.50
▸ GPR55 Q9Y2T6 1/20 0.50
▸ PLAAT5 Q96KN8 1/20 0.49
▸ PLAAT4 Q9UL19 1/20 0.49

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
SCHEMBL1381247 1.00 HSD17B3 (0.73) HSD17B3PKMSLC6A19BACE1CYP2D6
SCHEMBL3364562 1.00 HSD17B3 (0.73) HSD17B3PKMSLC6A19BACE1CYP2D6
SCHEMBL4398128 0.86 NPSR1 (0.55) HSD17B3PKMCYP2D6MAOBALDH1A1
SCHEMBL1035543 0.85 HSD17B3 (0.79) HSD17B3PKMSLC6A19BACE1CYP2D6
SCHEMBL1035544 0.85 HSD17B3 (0.79) HSD17B3PKMSLC6A19BACE1CYP2D6
SCHEMBL11586083 0.83 HSD17B3 (0.76) HSD17B3PKMSLC6A19BACE1CYP2D6
SCHEMBL236623 0.83 HSD17B3 (0.76) HSD17B3PKMSLC6A19BACE1CYP2D6
SCHEMBL31320929 0.83 HSD17B3 (0.76) HSD17B3PKMSLC6A19BACE1CYP2D6
SCHEMBL236624 0.83 HSD17B3 (0.76) HSD17B3PKMSLC6A19BACE1CYP2D6
SCHEMBL11586088 0.83 HSD17B3 (0.76) HSD17B3PKMSLC6A19BACE1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1217943-C New use and novel N-azabicyclo-amide derivatives ASTRAZENECA AB (SE) 2005-09-07 — — CN claimed
CN-1423651-A Novel use and novel N-azabicyclo-amide derivatives ASTRAZENECA AB (SE) 2003-06-11 — — CN claimed
CN-113462278-B Varnish composition, method for producing polyimide resin, and additive 东京应化工业株式会社 2024-06-07 — — CN 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
CN-1217943-C New use and novel N-azabicyclo-amide derivatives ASTRAZENECA AB (SE) 2005-09-07 — — CN disclosed
CN-1423651-A Novel use and novel N-azabicyclo-amide derivatives ASTRAZENECA AB (SE) 2003-06-11 — — CN 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 HSD17B3 809/4885PKM 1577/4885SLC6A19 2265/4885
US-20080161324-A1 Compositions and methods for treatment of viral diseases HAVCR2, EIF2AK2, RNASE1 HSD17B3 654/4885PKM 2372/4885SLC6A19 4704/4885

“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.

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