SCHEMBL20740807

SCHEMBL20740807

Cc1ccc2c(c1C)c(C)c(C)n2C(N)=O

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ BRD4 O60885 1/20 0.31
▸ BRPF1 P55201 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31

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
SCHEMBL4096931 0.81 SLC9A1 (0.36) DAOALDH1A1HSD17B10
SCHEMBL3294049 0.69 KMT2A (0.35) DAOALDH1A1KDM4ESMN1; SMN2HSD17B10
SCHEMBL28360828 0.69 LMNA (0.32) —
SCHEMBL22025584 0.69 MAPT (0.37) DAOALDH1A1KDM4E
SCHEMBL7140395 0.68 AKR1C3 (0.42) ALDH1A1KDM4EHSD17B10
SCHEMBL11605593 0.68 PTGS2 (0.46) ALDH1A1KDM4ESMN1; SMN2HSD17B10
SCHEMBL28560116 0.68 LIMK1 (0.43) KDM4E
Hydrochloric Acid SCHEMBL28531727 0.68 MAPT (0.49) ALDH1A1KDM4ESMN1; SMN2HSD17B10
SCHEMBL20430542 0.66 PRSS1 (0.32) —
Formamide SCHEMBL4205324 0.65 MAPT (0.46) ALDH1A1KDM4ESMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107820494-B Nuclear receptor modulators 艾伯维公司 2020-10-16 — — CN disclosed
US-20190055196-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC (US) 2019-02-21 — — 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-20190055196-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 DAO 4755/4885ALDH1A1 940/4885KDM4E 1833/4885

“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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