SCHEMBL27733

SCHEMBL27733

C#Cc1ccc(-c2ccc(C#C)cn2)nc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.40
CCR1 P32246 1/20 0.40
CCR5 P51681 1/20 0.40
CCR8 P51685 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
EGLN2 Q96KS0 2/20 0.37
KEAP1 Q14145 1/20 0.36
GRM5 P41594 5/20 0.35
P4HA1 P13674 1/20 0.34
P4HTM Q9NXG6 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
PARP1 P09874 1/20 0.33
EGLN1 Q9GZT9 1/20 0.32

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
SCHEMBL30626044 1.00 HDAC8 (0.40) HDAC8CCR1CCR5CCR8HDAC6
SCHEMBL4075034 0.85 KDM4E (0.54) CCR1CCR5CCR8GRM5P4HTM
SCHEMBL30693338 0.85 KDM4E (0.54) CCR1CCR5CCR8GRM5P4HTM
SCHEMBL29488113 0.84 KDM4E (0.52) CCR1CCR5CCR8GRM5P4HTM
SCHEMBL29488115 0.84 KDM4E (0.52) CCR1CCR5CCR8GRM5P4HTM
SCHEMBL29488118 0.84 KDM4E (0.52) CCR1CCR5CCR8GRM5P4HTM
SCHEMBL4911899 0.83 GRM5 (0.49) GRM5
SCHEMBL28710558 0.83 HDAC8 (0.37) HDAC8EGLN2KEAP1GRM5
SCHEMBL17539133 0.80 KDM1A (0.42) KEAP1GRM5
SCHEMBL17036815 0.78 GRM5 (0.42) EGLN2KEAP1GRM5EGLN1

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 97 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
EP-2626359-B1 PERYLENE DIIMIDES YEDA RES & DEV (IL) 2014-08-06 EP claimed
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 claimed
EP-2626359-A1 Perylene diimides Yeda Research and Development Co. Ltd. (IL) 2013-08-14 EP claimed
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 claimed
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 claimed
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 claimed
WO-2023219573-A2 POLYMER ADSORBENTS FOR SELECTIVE IONS ADSORPTION NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2023-11-16 WO disclosed
US-20180214827-A1 PERYLENE DIIMIDE BASED MEMBRANE AND METHODS OF USE THEREOF YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2018-08-02 US disclosed
US-20180214827-A1 PERYLENE DIIMIDE BASED MEMBRANE AND METHODS OF USE THEREOF YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2018-08-02 US disclosed
US-20180214827-A1 PERYLENE DIIMIDE BASED MEMBRANE AND METHODS OF USE THEREOF YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2018-08-02 US disclosed
EP-3319715-A1 PERYLENE DIIMIDE BASED MEMBRANE AND METHODS OF USE THEREOF Yeda Research and Development Co., Ltd. (IL) 2018-05-16 EP disclosed
EP-3067354-B1 SUPRAMOLECULAR POLYMERS DERIVED FROM PERYLENE-DIIMIDES YEDA RES & DEV (IL) 2018-01-03 EP disclosed
US-20080227939-A1 Organosilane compound and organosilica obtained therefrom KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 2008-09-18 US disclosed
US-20080227939-A1 Organosilane compound and organosilica obtained therefrom KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 2008-09-18 US disclosed
US-20080227939-A1 Organosilane compound and organosilica obtained therefrom KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 2008-09-18 US disclosed
US-7368564-B2 Bridged macrocyclic module compositions COVALENT PARTNERS, LLC (US) 2008-05-06 US disclosed
US-7368564-B2 Bridged macrocyclic module compositions COVALENT PARTNERS, LLC (US) 2008-05-06 US disclosed
US-20040248381-A1 Nanoelectronic interconnection and addressing MYRICK JAMES J (US) 2004-12-09 US disclosed
WO-2002103753-A2 NANOELECTRONIC INTERCONNECTION AND ADDRESSING MYRICK JAMES J (US) 2002-12-27 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 HDAC8 1836/4885CCR1 4309/4885CCR5 3457/4885
US-20100261901-A1 SELECTIVE BROMINATION OF PERYLENE DIIMIDES AND DERIVATIVES THEREOF UNDER MILD CONDITIONS BAZ2A, BAZ2B, BRD2 HDAC8 1836/4885CCR1 4309/4885CCR5 3457/4885
US-20080227939-A1 Organosilane compound and organosilica obtained therefrom CARM1, PRMT1, PRMT8 HDAC8 885/4885CCR1 1330/4885CCR5 2401/4885

“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.