SCHEMBL20592123

SCHEMBL20592123

O=C(O)c1ccc(NC2CCCN(CC3CCCCC3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 2/20 0.52
▸ CCR1 P32246 5/20 0.50
▸ NAMPT P43490 1/20 0.49
▸ CHRM2 P08172 4/20 0.47
▸ CHRM1 P11229 4/20 0.47
▸ CHRM3 P20309 4/20 0.47
▸ CNR1 P21554 1/20 0.44
▸ CNR2 P34972 1/20 0.44
▸ CCR2 P41597 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ PRKAA2 P54646 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ MAPT P10636 1/20 0.43

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
SCHEMBL18361283 0.90 LTA4H (0.58) LTA4HCCR1
SCHEMBL20592114 0.87 ALDH1A1 (0.50) CCR1NAMPTCCR2KCNH2MAPT
SCHEMBL20592144 0.83 NAMPT (0.48) LTA4HCCR1NAMPTCHRM2CHRM1
SCHEMBL11461585 0.81 HCAR3 (0.58) LTA4HMAPT
SCHEMBL11465510 0.81 HCAR3 (0.58) LTA4HMAPT
SCHEMBL3476595 0.81 HCAR3 (0.58) LTA4HMAPT
SCHEMBL11478987 0.81 HCAR3 (0.58) LTA4HMAPT
SCHEMBL11460577 0.81 HCAR3 (0.58) LTA4HMAPT
SCHEMBL20592143 0.80 HDAC1 (0.50) NAMPT
SCHEMBL20592222 0.80 HDAC1 (0.50) NAMPT

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-20210009519-A1 HISTONE DEACETYLASE INHIBITORS BIOMARIN PHARMACEUTICAL INC. 2021-01-14 — — US disclosed
US-10851058-B2 Histone deacetylase inhibitors BIOMARIN PHARMACEUTICAL INC. (US) 2020-12-01 — — US disclosed
US-10851058-B2 Histone deacetylase inhibitors BIOMARIN PHARMACEUTICAL INC. (US) 2020-12-01 — — US disclosed
US-10308608-B2 Histone deacetylase inhibitors BIOMARIN PHARMACEUTICAL INC. (US) 2019-06-04 — — US disclosed
US-10308608-B2 Histone deacetylase inhibitors BIOMARIN PHARMACEUTICAL INC. (US) 2019-06-04 — — US disclosed
US-20180370915-A1 HISTONE DEACETYLASE INHIBITORS BIOMARIN PHARMACEUTICAL INC. 2018-12-27 — — 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-10851058-B2 Histone deacetylase inhibitors HDAC1, HDAC2, HDAC3 LTA4H 2846/4885CCR1 4312/4885NAMPT 263/4885
US-20210009519-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC2, HDAC3 LTA4H 2846/4885CCR1 4312/4885NAMPT 263/4885
US-20180370915-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC2, HDAC3 LTA4H 2846/4885CCR1 4312/4885NAMPT 263/4885
US-10308608-B2 Histone deacetylase inhibitors HDAC1, HDAC2, HDAC3 LTA4H 2846/4885CCR1 4312/4885NAMPT 263/4885

“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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