SCHEMBL18876365

SCHEMBL18876365

CC(C)Oc1cc(F)c(N2CCCCC2)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ FFAR4 Q5NUL3 4/20 0.37
▸ USP2 O75604 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ LRRK2 Q5S007 4/20 0.36
▸ TP53 P04637 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA7 P43166 1/20 0.34
▸ CA9 Q16790 1/20 0.34

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
SCHEMBL18879715 0.85 MAPT (0.40) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL17432215 0.83 ALDH1A1 (0.46) MAPTALDH1A1SMN1; SMN2LRRK2
SCHEMBL18876494 0.83 LRRK2 (0.37) MAPTALDH1A1KDM4EFFAR4LRRK2
Hydrochloric Acid SCHEMBL17422193 0.82 ALDH1A1 (0.49) MAPTALDH1A1KDM4ESMN1; SMN2LRRK2
SCHEMBL16249187 0.77 ALDH1A1 (0.36) MAPTALDH1A1SMN1; SMN2KMT2AHTT
SCHEMBL20000631 0.74 ACACB (0.47) ALDH1A1KMT2AHTTGAAMEN1
SCHEMBL16250650 0.74 ALDH1A1 (0.43) MAPTALDH1A1SMN1; SMN2HTTGAA
SCHEMBL17432214 0.73 GPR119 (0.48) MAPTALDH1A1HTT
SCHEMBL28980388 0.73 FFAR4 (0.67) MAPTFFAR4
SCHEMBL18876522 0.72 CHRNB2 (0.41) ALDH1A1KMT2AHTTMEN1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9914737-B2 Triazolopyrimidinone or triazolopyridinone derivatives, and use thereof ST PHARM CO., LTD. (KR) 2018-03-13 — — US disclosed
US-20170166572-A1 NOVEL IMIDAZOTRIAZINONE OR IMIDAZOPYRAZINONE DERIVATIVES, AND USE THEREOF ST PHARM CO., LTD. (KR) 2017-06-15 — — US disclosed
US-20170145016-A1 NOVEL TRIAZOLOPYRIMIDINONE OR TRIAZOLOPYRIDINONE DERIVATIVES, AND USE THEREOF ST PHARM CO., LTD. (KR) 2017-05-25 — — 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 (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-20170145016-A1 NOVEL TRIAZOLOPYRIMIDINONE OR TRIAZOLOPYRIDINONE DERIVATIVES, AND USE THEREOF TNKS1BP1, TNKS, TPI1 MAPT 44/4885ALDH1A1 2244/4885KDM4E 1255/4885
US-20170166572-A1 NOVEL IMIDAZOTRIAZINONE OR IMIDAZOPYRAZINONE DERIVATIVES, AND USE THEREOF TNKS1BP1, TPI1, TBKBP1 MAPT 46/4885ALDH1A1 2275/4885KDM4E 1541/4885

“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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