SCHEMBL12891749

SCHEMBL12891749

CC(C)c1ccc(-n2cccn2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM5B Q9UGL1 1/20 0.47
▸ NOTUM Q6P988 1/20 0.45
▸ USP1 O94782 4/20 0.44
▸ CNR1 P21554 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ PDK2 Q15119 1/20 0.40
▸ TRPV3 Q8NET8 1/20 0.39
▸ KAT6A Q92794 1/20 0.39
▸ SOS1 Q07889 1/20 0.39
▸ LRRK2 Q5S007 1/20 0.39
▸ MET P08581 1/20 0.38
▸ MGLL Q99685 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ NLRP3 Q96P20 1/20 0.37

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
SCHEMBL18487985 0.88 NOTUM (0.49) KDM5BNOTUMUSP1KDM4EALDH1A1
SCHEMBL14350201 0.83 NOTUM (0.46) KDM5BNOTUMKDM4EALDH1A1MAPK1
SCHEMBL14199941 0.81 NOTUM (0.53) KDM5BNOTUMUSP1KDM4EALDH1A1
SCHEMBL22214068 0.81 LMNA (0.46) KDM5BNOTUMKDM4EALDH1A1MAPK1
SCHEMBL3103821 0.80 NOTUM (0.58) KDM5BNOTUMKDM4EALDH1A1MAPK1
SCHEMBL22380050 0.79 NOTUM (0.46) KDM5BNOTUMKDM4EALDH1A1MAPK1
SCHEMBL21736786 0.79 KDM5B (0.46) KDM5BNOTUMUSP1KDM4EALDH1A1
SCHEMBL7027887 0.79 NOTUM (0.49) KDM5BNOTUMKDM4EALDH1A1MAPK1
SCHEMBL20444416 0.78 NOTUM (0.57) KDM5BNOTUMUSP1
SCHEMBL8104472 0.77 NOTUM (0.50) KDM5BNOTUMKDM4EALDH1A1MAPK1

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-10975084-B2 KDM5 inhibitors MERCK SHARP & DOHME CORP. (US) 2021-04-13 — — US disclosed
US-20200048258-A1 KDM5 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-02-13 — — US disclosed
US-7880009-B2 Alzheimer's disease, senile dementia, Down syndrome or amyloidosis; (E)-N-biphenyl-3-ylmethyl-3-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl)acrylamide for example; imidazolyl-functional compounds inhibit production of Amyloid beta 40 and Amyloid beta 42 EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-02-01 — — US disclosed
US-7687640-B2 Cinnamide compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-30 — — US disclosed
US-20090281310-A1 3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzaldehyde; inhibits production of A beta 40 and A beta 42 from amyloid precursor protein ; Alzheimer's disease and Down syndrome EISAI R&D MANAGEMENT CO., LTD. 2009-11-12 — — US disclosed
US-20080070902-A1 Cinnamide Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-03-20 — — 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 (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-20090281310-A1 3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzaldehyde; inhibits production of A beta 40 and A beta 42 from amyloid precursor protein ; Alzheimer's disease and Down syndrome APP, PSEN1, BACE1 KDM5B 1765/4885NOTUM 3872/4885USP1 2423/4885
US-20200048258-A1 KDM5 INHIBITORS KDM5A, KDM5B, KDM5C KDM5B 2/4885NOTUM 2149/4885USP1 350/4885
US-20080070902-A1 Cinnamide Compound C1S, CCR1, CNR1 KDM5B 4356/4885NOTUM 1843/4885USP1 4591/4885
US-10975084-B2 KDM5 inhibitors KDM5A, KDM5B, KDM5C KDM5B 2/4885NOTUM 2149/4885USP1 350/4885

“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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