SCHEMBL2028407

SCHEMBL2028407

C=CC(NC)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
HTR2A P28223 3/20 0.42
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 2/20 0.42
ALOX15 P16050 2/20 0.42
TSHR P16473 2/20 0.42
CHRM2 P08172 1/20 0.42
ADRA1A P35348 1/20 0.42
RGS12 O14924 1/20 0.42
GLA P06280 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
PKM P14618 1/20 0.42
ALOX12 P18054 1/20 0.42
ADRA2C P18825 1/20 0.42
NFKB1 P19838 1/20 0.42
THPO P40225 1/20 0.42
GNAI1 P63096 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KMT2A Q03164 2/20 0.41

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
SCHEMBL9268820 0.81 SMN1; SMN2 (0.37) ALDH1A1HTR2ACYP2C19CYP3A4ALOX15
SCHEMBL15787495 0.80 CHRNA7 (0.37) ALDH1A1KMT2AMEN1LMNATDP1
SCHEMBL15787496 0.80 CHRNA7 (0.37) ALDH1A1KMT2AMEN1LMNATDP1
SCHEMBL4841608 0.78 TAAR1 (0.40) ALDH1A1HTR2ACYP2C19CYP3A4ALOX15
SCHEMBL897649 0.77 KDM4E (0.38) ALDH1A1CYP2C19CYP3A4ALOX15TSHR
Ammonia Solution, Strong SCHEMBL27951261 0.77 HDAC1 (0.39) ALDH1A1CYP2C19CYP3A4ALOX15TSHR
SCHEMBL1444029 0.77 AOC3 (0.42) ALDH1A1HTR2ACYP2C19CYP3A4ALOX15
SCHEMBL9631266 0.77 CYP3A4 (0.35) ALDH1A1HTR2ACYP2C19CYP3A4ALOX15
SCHEMBL9416672 0.77 SMN1; SMN2 (0.35) ALDH1A1CYP2C19CYP3A4ALOX15TSHR
SCHEMBL9631211 0.77 ALDH1A1 (0.39) ALDH1A1CYP2C19CYP3A4ALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118271624-A Amphiphilic block copolymer and preparation method and application thereof 广州孔确基因科技有限公司 2024-07-02 CN claimed
CN-118271624-A Amphiphilic block copolymer and preparation method and application thereof 广州孔确基因科技有限公司 2024-07-02 CN disclosed
CN-115243780-A Filter material 东丽株式会社 2022-10-25 CN disclosed
EP-2166074-B1 CLEANING AGENT ESPO CHEMICALS CORP (JP) 2013-03-20 EP disclosed
US-7956026-B2 Cleaning agent ESPO CHEMICALS CORP. (JP) 2011-06-07 US disclosed
US-20100216686-A1 CLEANING AGENT ESPO CHEMICALS CORPORATION (JP) 2010-08-26 US disclosed
EP-2166074-A1 CLEANING AGENT Espo Chemicals, Corp. (JP) 2010-03-24 EP disclosed
US-7342007-B2 Lactams and uses thereof ASTRAZENECA AB (SE) 2008-03-11 US disclosed
US-7342007-B2 Lactams and uses thereof ASTRAZENECA AB (SE) 2008-03-11 US disclosed
US-7342007-B2 Lactams and uses thereof ASTRAZENECA AB (SE) 2008-03-11 US disclosed
US-20060183732-A1 Novel lactams and uses thereof ASTRAZENECA AB (SE) 2006-08-17 US disclosed
EP-1636196-A1 NOVEL LACTAMS AND USES THEREOF AstraZeneca AB (SE) 2006-03-22 EP disclosed
WO-2004080983-A1 NOVEL LACTAMS AND USES THEREOF ASTRAZENECA AB (SE) 2004-09-23 WO disclosed
WO-2004080983-A1 NOVEL LACTAMS AND USES THEREOF ASTRAZENECA AB (SE) 2004-09-23 WO disclosed
CN-1007727-B PROCESS FOR THE PREPARATION OF TETRAHYDRONAPHTALINE DERIVATIVES HOFFMANN LA ROCHE (CH) 1990-04-25 CN disclosed
US-4680310-A HYPOTENSIVE AGENTS HOFFMANN-LA ROCHE INC. (US) 1987-07-14 US disclosed
CN-85107496-A The method for preparing tetrahydronaphthalenderivatives derivatives 1986-07-23 CN 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-20060183732-A1 Novel lactams and uses thereof BACE1, BACE2, APP ALDH1A1 2419/4885HTR2A 4121/4885CYP2C19 841/4885

“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.