SCHEMBL1928101

SCHEMBL1928101

O=C(NCc1cccc2ccccc12)c1cccc(-c2ccccc2)c1

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 1/20 0.64
▸ CHRNA4 P43681 1/20 0.64
▸ EPHX2 P34913 2/20 0.63
▸ NR1H4 Q96RI1 1/20 0.63
▸ CSNK1D P48730 1/20 0.60
▸ CFD P00746 1/20 0.58
▸ CA2 P00918 1/20 0.57
▸ MAPT P10636 2/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ CDK4 P11802 1/20 0.54
▸ CCND1 P24385 1/20 0.54
▸ CYP2C9 P11712 2/20 0.54
▸ CYP1A2 P05177 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ PKM P14618 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ HDAC8 Q9BY41 1/20 0.53

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
SCHEMBL1927457 0.91 CSNK1D (0.55) CHRNB2CHRNA4EPHX2NR1H4CSNK1D
SCHEMBL3817884 0.88 CA2 (0.70) CHRNB2CHRNA4CA2MAPTMEN1
SCHEMBL8350912 0.83 CSNK1D (0.53) CHRNB2CHRNA4EPHX2NR1H4CSNK1D
SCHEMBL3773526 0.83 CA2 (0.61) CHRNB2CHRNA4CSNK1DCA2MAPT
SCHEMBL1927790 0.83 CA2 (0.57) CHRNB2CHRNA4CSNK1DCA2MAPT
SCHEMBL3767060 0.83 CA2 (0.61) CHRNB2CHRNA4CSNK1DCA2MAPT
SCHEMBL8349712 0.80 ABL1 (0.53) CHRNB2CHRNA4CSNK1DCYP2C9
SCHEMBL6570852 0.78 CA2 (0.69) CHRNB2CHRNA4CA2MAPTMEN1
SCHEMBL6798961 0.78 CYP2C9 (0.54) CHRNB2CHRNA4NR1H4CSNK1DCA2
SCHEMBL5213910 0.77 CA2 (0.54) CHRNB2CHRNA4CSNK1DCA2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1763509-B1 ALPHA-HELICAL MIMETICS WALTER & ELIZA HALL INST MEDICAL RES (AU) 2018-02-21 — — EP disclosed
US-7956216-B2 Benzoyl urea derivatives mimicing BH3-only proteins, able to interact with a Bcl-2 protein THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2011-06-07 — — US disclosed
US-20080153802-A1 Alpha-helical mimetics THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2008-06-26 — — US disclosed
EP-1763509-A1 ALPHA-HELICAL MIMETICS THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2007-03-21 — — EP disclosed
WO-2006002474-A1 ALPHA-HELICAL MIMETICS THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2006-01-12 — — 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 (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-20080153802-A1 Alpha-helical mimetics BID, BAX, BAD CHRNB2 3564/4885CHRNA4 4576/4885EPHX2 4035/4885

“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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