SCHEMBL20202560

SCHEMBL20202560

COc1ccc(C(=O)C2CC2)cc1F

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.63
LMNA P02545 4/20 0.63
RAB9A P51151 2/20 0.63
MAPK1 P28482 2/20 0.63
ALDH1A1 P00352 12/20 0.55
PDE4B Q07343 1/20 0.53
PDE4D Q08499 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
NPC1 O15118 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
TAS1R3 Q7RTX0 1/20 0.48
TAS1R1 Q7RTX1 1/20 0.48
GAA P10253 1/20 0.47

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
SCHEMBL31058497 0.92 ALDH1A1 (0.60) HTTLMNARAB9AMAPK1ALDH1A1
SCHEMBL16442371 0.91 HTT (0.56) HTTLMNARAB9AMAPK1ALDH1A1
Hydrochloric Acid SCHEMBL16447312 0.90 MEN1 (0.56) HTTLMNARAB9AMAPK1ALDH1A1
SCHEMBL16446727 0.86 ALDH1A1 (0.56) HTTLMNARAB9AMAPK1ALDH1A1
SCHEMBL10413533 0.85 CYP1A2 (0.61) LMNARAB9AALDH1A1PDE4BPDE4D
SCHEMBL18290833 0.81 EPHX2 (0.50) HTTLMNARAB9AMAPK1
SCHEMBL31063051 0.81 ALDH1A1 (0.65) HTTLMNARAB9AMAPK1ALDH1A1
SCHEMBL6209718 0.80 HSD11B1 (0.73) HTTLMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL27264231 0.80 PDE4D (0.56) HTTLMNARAB9AALDH1A1PDE4B
SCHEMBL21448795 0.79 HSD11B1 (0.60) LMNARAB9AALDH1A1NPC1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180148453-A1 DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-05-31 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 (1 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-20180148453-A1 DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS PDE12, PDE2A, PDE4D HTT 98/4885LMNA 4745/4885RAB9A 700/4885

“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.