SCHEMBL17276713

SCHEMBL17276713

COc1cc(-c2ccccc2)ccc1CN1CCN(C(=O)n2cc(C(=O)N3CCCC3)cn2)CC1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.55
▸ HTT P42858 2/20 0.55
▸ KDM4E B2RXH2 5/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ POLB P06746 1/20 0.50
▸ FAAH O00519 1/20 0.48
▸ LMNA P02545 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ RECQL P46063 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ GAA P10253 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL17281614 0.89 ALDH1A1 (0.45) ALDH1A1HTTKDM4EMEN1KMT2A
SCHEMBL17276787 0.89 ALDH1A1 (0.44) ALDH1A1HTTKDM4EMEN1KMT2A
SCHEMBL17276682 0.88 FAAH (0.62) ALDH1A1HTTFAAH
SCHEMBL17276637 0.87 FAAH (0.61) ALDH1A1HTTFAAH
SCHEMBL19078765 0.87 FAAH (0.53) ALDH1A1HTTKDM4EMEN1KMT2A
SCHEMBL17276761 0.87 FAAH (0.51) ALDH1A1HTTKDM4EFAAHSMN1; SMN2
SCHEMBL17276268 0.86 FAAH (0.62) ALDH1A1HTTFAAH
SCHEMBL17276757 0.86 ALDH1A1 (0.50) ALDH1A1HTTKDM4EFAAHMAPT
SCHEMBL17276750 0.85 FAAH (0.49) ALDH1A1HTTKDM4EMEN1KMT2A
SCHEMBL17276726 0.84 FAAH (0.48) ALDH1A1HTTKDM4EFAAHSMN1; SMN2

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-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
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 ALDH1A1 1322/4885HTT 3834/4885KDM4E 2168/4885
US-10093630-B2 Pyrazole compounds and methods of making and using same ABHD6, FAAH, FAAH2 ALDH1A1 1322/4885HTT 3834/4885KDM4E 2168/4885

“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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