SCHEMBL19078745

SCHEMBL19078745

Cc1cnn(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.59
▸ LMNA P02545 2/20 0.59
▸ GAA P10253 1/20 0.59
▸ MEN1 O00255 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ ALDH1A1 P00352 4/20 0.57
▸ KDM4E B2RXH2 1/20 0.57
▸ TDP1 Q9NUW8 1/20 0.57
▸ POLB P06746 1/20 0.57

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
SCHEMBL17276488 0.85 LMNA (0.60) LMNAGAAMEN1KMT2AKDM4E
SCHEMBL17281577 0.84 KDM4E (0.62) HTTLMNAMEN1KMT2AALDH1A1
SCHEMBL17281587 0.84 KDM4E (0.62) HTTLMNAMEN1KMT2AALDH1A1
SCHEMBL17281608 0.83 KDM4E (0.61) HTTLMNAMEN1KMT2AALDH1A1
SCHEMBL19078776 0.83 L3MBTL1 (0.55) —
SCHEMBL27663681 0.83 ALDH1A1 (0.70) HTTLMNAMEN1KMT2AALDH1A1
SCHEMBL17281600 0.82 KDM4E (0.60) HTTLMNAMEN1KMT2AALDH1A1
SCHEMBL19088721 0.81 ALDH1A1 (0.51) HTTLMNAGAAMEN1KMT2A
SCHEMBL19078772 0.81 FAAH (0.50) —
SCHEMBL19078775 0.81 AKR1C3 (0.56) —

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 HTT 3834/4885LMNA 4598/4885GAA 2974/4885

“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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