SCHEMBL17281600

SCHEMBL17281600

O=C(c1cnn(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1)N1CCOCC1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.60
▸ TDP1 Q9NUW8 1/20 0.60
▸ MEN1 O00255 3/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ ALDH1A1 P00352 5/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ FABP1 P07148 1/20 0.53
▸ FABP6 P51161 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ LMNA P02545 4/20 0.53
▸ MAPT P10636 2/20 0.53
▸ HTT P42858 2/20 0.53
▸ PKM P14618 1/20 0.52
▸ HPGD P15428 1/20 0.52

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
SCHEMBL17281587 0.92 KDM4E (0.62) KDM4ETDP1MEN1KMT2AALDH1A1
SCHEMBL17281577 0.92 KDM4E (0.62) KDM4ETDP1MEN1KMT2AALDH1A1
SCHEMBL17281608 0.91 KDM4E (0.61) KDM4ETDP1MEN1KMT2AALDH1A1
SCHEMBL17281601 0.91 KDM4E (0.58) KDM4ETDP1MEN1KMT2AALDH1A1
SCHEMBL17276341 0.82 LSS (0.51) KDM4EMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL19078745 0.82 HTT (0.59) KDM4ETDP1MEN1KMT2AALDH1A1
SCHEMBL17276676 0.81 AKR1C3 (0.46) TSHRHPGD
SCHEMBL17276633 0.80 KDM4E (0.53) KDM4ETDP1ALDH1A1LMNAHTT
SCHEMBL17276488 0.80 LMNA (0.60) KDM4ETDP1MEN1KMT2AFABP1
SCHEMBL27663681 0.78 ALDH1A1 (0.70) KDM4ETDP1MEN1KMT2AALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10093630-B2 Pyrazole compounds and methods of making and using same ABIDE THERAPEUTICS, INC. (US) 2018-10-09 — — US disclosed
US-20170190669-A1 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2017-07-06 — — US disclosed
US-20170190669-A1 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2017-07-06 — — US disclosed
US-20170190669-A1 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2017-07-06 — — US disclosed
WO-2015179559-A2 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME ABIDE THERAPEUTICS, INC. (US) 2015-11-26 — — WO 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 (2 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 KDM4E 2168/4885TDP1 4025/4885MEN1 3710/4885
US-10093630-B2 Pyrazole compounds and methods of making and using same ABHD6, FAAH, FAAH2 KDM4E 2168/4885TDP1 4025/4885MEN1 3710/4885

“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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