SCHEMBL3987997

SCHEMBL3987997

OCc1nc2ncc(Br)cn2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
TSHR P16473 2/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 4/20 0.33
TDP1 Q9NUW8 3/20 0.33
POLB P06746 3/20 0.33
NPC1 O15118 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 4/20 0.32
RECQL P46063 1/20 0.32
GAA P10253 1/20 0.32
MAP4K4 O95819 1/20 0.31
PAK4 O96013 1/20 0.31
CSF1R P07333 1/20 0.31
RET P07949 1/20 0.31
GRK5 P34947 1/20 0.31
MAPK8 P45983 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
SCHEMBL3991254 0.81 MAP4K4 (0.35) SMN1; SMN2KDM4EALDH1A1TSHRHTT
SCHEMBL1581809 0.79 SORD (0.34) SMN1; SMN2KDM4EALDH1A1TSHRHTT
SCHEMBL6790033 0.77 SORD (0.33) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL29302413 0.74 PDE2A (0.32) SMN1; SMN2KDM4ERAB9ANPC1MEN1
SCHEMBL9903738 0.71 KDM4E (0.58) SMN1; SMN2KDM4EALDH1A1TSHRHTT
SCHEMBL1991828 0.69 SMN1; SMN2 (0.46) SMN1; SMN2KDM4EALDH1A1TSHRHTT
SCHEMBL3988120 0.69 ALDH1A1 (0.43) SMN1; SMN2KDM4EALDH1A1TSHRHTT
SCHEMBL4473144 0.68 NPC1 (0.45) SMN1; SMN2KDM4EALDH1A1TSHRRAB9A
SCHEMBL31195177 0.67 SMN1; SMN2 (0.41) SMN1; SMN2KDM4EALDH1A1TSHRHTT
SCHEMBL1993676 0.67 ALDH1A1 (0.39) SMN1; SMN2KDM4EALDH1A1TSHRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240226106-A1 INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES (US) 2024-07-11 US disclosed
US-20240226106-A1 INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES (US) 2024-07-11 US disclosed
EP-4308229-A1 INHIBITORS OF PLASMA KALLIKREIN Takeda Pharmaceutical Company Limited (JP) 2024-01-24 EP disclosed
US-20230143612-A1 SUBSTITUTED 1,1'-BIPHENYL COMPOUNDS AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (US) 2023-05-11 US disclosed
US-20230143612-A1 SUBSTITUTED 1,1'-BIPHENYL COMPOUNDS AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (US) 2023-05-11 US disclosed
EP-4100381-A1 SUBSTITUTED 1,1'-BIPHENYL COMPOUNDS AND METHODS USING SAME Arbutus Biopharma Corporation (CA) 2022-12-14 EP disclosed
WO-2022197763-A1 INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2022-09-22 WO disclosed
WO-2021158481-A1 SUBSTITUTED 1,1'-BIPHENYL COMPOUNDS AND METHODS USING SAME ARBUTUS BIOPHARMA, INC. (US) 2021-08-12 WO disclosed
US-7473790-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same PFIZER INC. (US) 2009-01-06 US disclosed
US-7473790-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same PFIZER INC. (US) 2009-01-06 US disclosed
US-7473790-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same PFIZER INC. (US) 2009-01-06 US disclosed
US-7148226-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. (US) 2006-12-12 US disclosed
US-20060189681-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME AGOURON PHARMACEUTICALS, INC. 2006-08-24 US disclosed
EP-1597246-A2 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2005-11-23 EP disclosed
US-20050176701-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. 2005-08-11 US disclosed
WO-2004074270-A2 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2004-09-02 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 (4 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-20240226106-A1 INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK5, KLK1 SMN1; SMN2 4720/4885KDM4E 646/4885ALDH1A1 3041/4885
US-20060189681-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME RNASE1, RNASEH1, NSUN3 SMN1; SMN2 3095/4885KDM4E 1534/4885ALDH1A1 322/4885
US-20050176701-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same RNASE1, RNASEH1, NSUN3 SMN1; SMN2 3095/4885KDM4E 1534/4885ALDH1A1 322/4885
US-20230143612-A1 SUBSTITUTED 1,1'-BIPHENYL COMPOUNDS AND METHODS USING SAME HAVCR2, HMBS, VHL SMN1; SMN2 3447/4885KDM4E 224/4885ALDH1A1 172/4885

“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.