SCHEMBL20229612

SCHEMBL20229612

CCCCC(=O)c1cnn2c(C#N)c(O)ccc12

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.38
▸ HSD17B3 P37058 7/20 0.36
▸ ALDH1A1 P00352 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ ELANE P08246 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HTR7 P34969 1/20 0.33
▸ IAPP P10997 1/20 0.32
▸ GABRA1 P14867 1/20 0.32
▸ GABRB2 P47870 1/20 0.32

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
SCHEMBL7879462 0.69 HTT (0.48) HTTHSD17B3ALDH1A1MAPTMEN1
SCHEMBL27563930 0.68 NR4A3 (0.46) HTTALDH1A1MAPTMEN1KMT2A
SCHEMBL20229773 0.65 EPHB3 (0.52) HTTALDH1A1KDM4E
SCHEMBL3690721 0.64 PIK3CD (0.49) —
SCHEMBL10350961 0.64 HTT (0.56) HTTHSD17B3ALDH1A1MAPTMEN1
SCHEMBL8462996 0.64 TSHR (0.57) HTTHSD17B3ALDH1A1MAPTMEN1
SCHEMBL30350086 0.64 TSHR (0.57) HTTHSD17B3ALDH1A1MAPTMEN1
SCHEMBL21018531 0.63 HTT (0.68) HTTHSD17B3ALDH1A1KDM4ETSHR
SCHEMBL31360514 0.63 HTT (0.68) HTTHSD17B3ALDH1A1KDM4ETSHR
SCHEMBL23516462 0.62 TP53 (0.37) HTTHSD17B3ALDH1A1MAPTKDM4E

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-20180155296-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2018-06-07 — — 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-20180155296-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK ROCK1, MYLK, ROCK2 HTT 3108/4885HSD17B3 98/4885ALDH1A1 1252/4885

“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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