SCHEMBL1263616

SCHEMBL1263616

O=C1c2ccccc2C(=O)N1C1c2ccccc2CCc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ CHRM2 P08172 1/20 0.44
▸ OPRM1 P35372 1/20 0.44
▸ DDB1 Q16531 1/20 0.44
▸ CRBN Q96SW2 1/20 0.44
▸ IKZF3 Q9UKT9 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ KDM1A O60341 1/20 0.43
▸ ACP3 P15309 1/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ PRCP P42785 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 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
SCHEMBL6865830 0.91 CES1 (0.41) CES1ALDH1A1CHRM2OPRM1DDB1
SCHEMBL30703123 0.79 CRBN (0.57) ALDH1A1CHRM2OPRM1DDB1CRBN
SCHEMBL15028540 0.79 CRBN (0.57) ALDH1A1CHRM2OPRM1DDB1CRBN
SCHEMBL2557698 0.79 CRBN (0.57) ALDH1A1CHRM2OPRM1DDB1CRBN
SCHEMBL30998388 0.76 OPRM1 (0.50) ALDH1A1CHRM2OPRM1DDB1CRBN
SCHEMBL1265932 0.76 OPRM1 (0.50) ALDH1A1CHRM2OPRM1DDB1CRBN
SCHEMBL1264462 0.76 OPRM1 (0.50) ALDH1A1CHRM2OPRM1DDB1CRBN
SCHEMBL252576 0.75 KDM1A (0.55) ALDH1A1TSHRKDM1AKMT2ANPSR1
SCHEMBL12288907 0.74 KDM1A (0.69) ALDH1A1TSHRKDM1AKMT2ANPSR1
SCHEMBL31675930 0.72 SPPL2A (0.42) KDM1AKMT2AKEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7893071-B2 Substituted phthalimide and isoquinoline derivatives; thalidomide analogs that lack the piperidine-2,6-dione moiety of thalidomide UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2011-02-22 — — US disclosed
US-7893071-B2 Substituted phthalimide and isoquinoline derivatives; thalidomide analogs that lack the piperidine-2,6-dione moiety of thalidomide UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2011-02-22 — — US disclosed
US-7893071-B2 Substituted phthalimide and isoquinoline derivatives; thalidomide analogs that lack the piperidine-2,6-dione moiety of thalidomide UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2011-02-22 — — US disclosed
US-20040122030-A1 Synthesis and evaluation of novel phthalimide mimics as anti-angiogenic UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2004-06-24 — — 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-20040122030-A1 Synthesis and evaluation of novel phthalimide mimics as anti-angiogenic KDR, FLT4, FLT1 CES1 2251/4885ALDH1A1 1161/4885CHRM2 4360/4885

“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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