SCHEMBL2867820

SCHEMBL2867820

CCC(CC)NC(=N)c1cc(C(=O)O)c2c3ccc4c5c(ccc(c6ccc(C(=O)NC(CC)CC)c1c62)c53)C(=O)NC4=O

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 2/20 0.31
▸ TAS1R1 Q7RTX1 2/20 0.31
▸ TAS1R2 Q8TE23 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ HTT P42858 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ HPGD P15428 1/20 0.30

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
SCHEMBL3957281 0.89 CHEK1 (0.36) TAS1R3TAS1R1ALDH1A1KDM4EHPGD
SCHEMBL5185602 0.83 CASP3 (0.35) ALDH1A1HTTKDM4EHPGD
SCHEMBL2683123 0.82 CHEK1 (0.31) —
SCHEMBL1095842 0.80 ALOX5 (0.39) ALDH1A1HTTKDM4EHPGD
SCHEMBL2524404 0.80 ALOX5 (0.39) ALDH1A1HTTKDM4EHPGD
SCHEMBL6561059 0.79 HTT (0.39) ALDH1A1HTTKDM4E
SCHEMBL10341193 0.78 CHEK1 (0.47) ALDH1A1KDM4EHPGD
SCHEMBL9511404 0.78 KDM4E (0.38) ALDH1A1HTTKDM4EHPGD
SCHEMBL1096403 0.78 MEN1 (0.42) ALDH1A1HTTKDM4E
SCHEMBL10708450 0.77 KMT2A (0.43) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150152106-A1 SELECTIVE BROMINATION OF PERYLENE DIIMIDES AND DERIVATIVES THEREOF UNDER MILD CONDITIONS YEDA RESEARCH AND DEVELOPMENT CO.LTD (IL) 2015-06-04 — — US disclosed
US-8859772-B2 Selective bromination of perylene diimides and derivatives thereof under mild conditions YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2014-10-14 — — US disclosed
EP-2626359-B1 PERYLENE DIIMIDES YEDA RES & DEV (IL) 2014-08-06 — — EP disclosed
US-20130231481-A1 SELECTIVE BROMINATION OF PERYLENE DIIMIDES AND DERIVATIVES THEREOF UNDER MILD CONDITIONS YED RESEARCH AND DEVELOPMENT CO.LTD (IL) 2013-09-05 — — US disclosed
EP-2626359-A1 Perylene diimides Yeda Research and Development Co. Ltd. (IL) 2013-08-14 — — EP disclosed
EP-2155741-B1 SELECTIVE BROMINATION OF PERYLENE DIIMIDES AND DERIVATIVES THEREOF UNDER MILD CONDITIONS YEDA RES & DEV (IL) 2013-06-26 — — EP disclosed
US-8399670-B2 Selective bromination of perylene diimides and derivatives thereof under mild conditions YEDA RESEARCH AND DEVELOPMENT CO.LTD (IL) 2013-03-19 — — US disclosed
US-20100261901-A1 SELECTIVE BROMINATION OF PERYLENE DIIMIDES AND DERIVATIVES THEREOF UNDER MILD CONDITIONS YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 2010-10-14 — — US disclosed
EP-2155741-A2 SELECTIVE BROMINATION OF PERYLENE DIIMIDES AND DERIVATIVES THEREOF UNDER MILD CONDITIONS Yeda Research And Development Co. Ltd. (IL) 2010-02-24 — — EP disclosed
WO-2008139452-A2 SELECTIVE BROMINATION OF PERYLENE DIIMIDES AND DERIVATIVES THEREOF UNDER MILD CONDITIONS YEDA RESEARCH AND DEVELOPMENT CO.LTD (IL) 2008-11-20 — — 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 (3 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-20130231481-A1 SELECTIVE BROMINATION OF PERYLENE DIIMIDES AND DERIVATIVES THEREOF UNDER MILD CONDITIONS BAZ2A, BAZ2B, BRD2 TAS1R3 4303/4885TAS1R1 4554/4885TAS1R2 3848/4885
US-20150152106-A1 SELECTIVE BROMINATION OF PERYLENE DIIMIDES AND DERIVATIVES THEREOF UNDER MILD CONDITIONS BAZ2A, BAZ2B, BRD2 TAS1R3 4303/4885TAS1R1 4554/4885TAS1R2 3848/4885
US-20100261901-A1 SELECTIVE BROMINATION OF PERYLENE DIIMIDES AND DERIVATIVES THEREOF UNDER MILD CONDITIONS BAZ2A, BAZ2B, BRD2 TAS1R3 4303/4885TAS1R1 4554/4885TAS1R2 3848/4885

“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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