SCHEMBL31084402

SCHEMBL31084402

Fc1c(Cl)c(Br)cc2c1cnn2C1CCCCO1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 3/20 0.40
▸ CYP4A11 Q02928 3/20 0.40
▸ RXRA P19793 1/20 0.40
▸ RXRB P28702 1/20 0.40
▸ RXRG P48443 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.38
▸ POLB P06746 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ RET P07949 2/20 0.33
▸ PDE1A P54750 1/20 0.33
▸ PDE1B Q01064 1/20 0.33
▸ PDE1C Q14123 1/20 0.33
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ YTHDC1 Q96MU7 1/20 0.32
▸ DGAT2 Q96PD7 1/20 0.32
▸ PDE9A O76083 2/20 0.31
▸ ATR Q13535 3/20 0.30
▸ PDE4D Q08499 1/20 0.30

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
SCHEMBL28654716 0.88 CYP4F2 (0.41) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL21195846 0.84 CYP4F2 (0.42) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL29385882 0.83 CYP4F2 (0.42) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL21195912 0.83 CYP4F2 (0.42) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL30959647 0.83 RXRA (0.40) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL767423 0.82 RXRA (0.43) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL15209141 0.81 CYP4F2 (0.42) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL31128164 0.81 CYP4F2 (0.42) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL31128154 0.81 CYP4F2 (0.42) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL17731741 0.81 RXRA (0.42) CYP4F2CYP4A11RXRARXRBRXRG

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-12030872-B2 N-heteroaryl indazole derivatives as LRRK2 inhibitors, pharmaceutical compositions, and uses thereof MERCK SHARP & DOHME LLC (US) 2024-07-09 — — 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-12030872-B2 N-heteroaryl indazole derivatives as LRRK2 inhibitors, pharmaceutical compositions, and uses thereof LRRK2, CLK2, BRSK2 CYP4F2 3980/4885CYP4A11 4465/4885RXRA 4256/4885

“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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