SCHEMBL21025761

SCHEMBL21025761

O=Nc1cc(Br)ccc1NC1CCC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 2/20 0.38
▸ MAPT P10636 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CRHBP P24387 1/20 0.36
▸ CRHR2 Q13324 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ MAPK1 P28482 2/20 0.34
▸ AAK1 Q2M2I8 2/20 0.34
▸ WNK1 Q9H4A3 2/20 0.34
▸ IRAK4 Q9NWZ3 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ IDO1 P14902 1/20 0.33

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
SCHEMBL21026044 0.87 HCAR3 (0.35) HCAR3MAPTLMNAHTTSMN1; SMN2
SCHEMBL24913751 0.81 HTT (0.35) MAPTHTTALDH1A1KDM4EAAK1
SCHEMBL17678063 0.75 MAPT (0.51) HCAR3MAPTLMNAHTTSMN1; SMN2
SCHEMBL26507520 0.74 KDM1A (0.38) MAPTLMNAHTTMAPK1IRAK4
SCHEMBL17678250 0.72 HCAR3 (0.66) HCAR3MAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL13879940 0.72 SIGMAR1 (0.37) MAPTLMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL2946261 0.71 MAPT (0.56) HCAR3MAPTLMNAHTTSMN1; SMN2
SCHEMBL17678177 0.71 MAPT (0.51) HCAR3MAPTLMNAHTTSMN1; SMN2
SCHEMBL18791838 0.71 KMT5B (0.44) HCAR3MAPTSMN1; SMN2MAPK1NPC1
SCHEMBL23176976 0.70 MAPT (0.59) MAPTLMNAHTTSMN1; SMN2ALDH1A1

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-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2019-05-23 — — 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-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES HPSE, GAA, MAN2B1 HCAR3 1212/4885MAPT 3263/4885LMNA 2070/4885

“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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