SCHEMBL19088721

SCHEMBL19088721

O=C(N1CCN(Cc2ccc3c(c2)OCO3)CC1)n1cc(C(O)N2CCCC2)cn1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ TDP1 Q9NUW8 2/20 0.51
▸ HTT P42858 2/20 0.51
▸ KMT2A Q03164 3/20 0.49
▸ FAAH O00519 3/20 0.48
▸ LMNA P02545 3/20 0.48
▸ GAA P10253 1/20 0.48
▸ FABP1 P07148 1/20 0.48
▸ FABP6 P51161 1/20 0.48
▸ MAPT P10636 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ TSHR P16473 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ SMN1; SMN2 Q16637 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
SCHEMBL17281577 0.82 KDM4E (0.62) ALDH1A1KDM4ETDP1HTTKMT2A
SCHEMBL19078745 0.81 HTT (0.59) ALDH1A1KDM4ETDP1HTTKMT2A
SCHEMBL17281608 0.81 KDM4E (0.61) ALDH1A1KDM4ETDP1HTTKMT2A
SCHEMBL17281587 0.80 KDM4E (0.62) ALDH1A1KDM4ETDP1HTTKMT2A
SCHEMBL17276488 0.79 LMNA (0.60) KDM4ETDP1KMT2AFAAHLMNA
SCHEMBL19088700 0.78 CHRNB2 (0.48) ALDH1A1KDM4ETDP1HTTMAPT
SCHEMBL27663681 0.77 ALDH1A1 (0.70) ALDH1A1KDM4ETDP1HTTKMT2A
SCHEMBL19088701 0.77 KDM4E (0.48) ALDH1A1KDM4ETDP1
SCHEMBL17281600 0.77 KDM4E (0.60) ALDH1A1KDM4ETDP1HTTKMT2A
SCHEMBL19088588 0.74 ALDH1A1 (0.51) ALDH1A1KDM4EMAPTTSHR

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-20170190669-A1 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2017-07-06 — — 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-20170190669-A1 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME ABHD6, FAAH, FAAH2 ALDH1A1 1322/4885KDM4E 2168/4885TDP1 4025/4885

“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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