SCHEMBL5913640

SCHEMBL5913640

O=C(CNCCO)Nc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.55
GAA P10253 1/20 0.54
EPHX2 P34913 2/20 0.52
ALDH1A1 P00352 1/20 0.50
HDAC2 Q92769 3/20 0.49
KDM4E B2RXH2 1/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
RECQL P46063 1/20 0.49
HDAC3 O15379 2/20 0.49
HDAC4 P56524 2/20 0.49
HDAC7 Q8WUI4 2/20 0.49
HDAC10 Q969S8 2/20 0.49
HDAC11 Q96DB2 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
HDAC9 Q9UKV0 2/20 0.49
HDAC5 Q9UQL6 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL23178156 0.84 GAA (0.67) HDAC1GAAEPHX2ALDH1A1HDAC2
SCHEMBL5913902 0.82 GAA (0.56) HDAC1GAAALDH1A1HDAC2KDM4E
SCHEMBL5767632 0.82 NOTUM (0.57) HDAC1GAAEPHX2ALDH1A1HDAC2
SCHEMBL3324621 0.81 LTA4H (0.67) ALDH1A1RECQLMAPTHTTMEN1
SCHEMBL4529276 0.81 CA1 (0.63) HDAC1GAAEPHX2CA1CA2
SCHEMBL14107963 0.79 MAPT (0.58) GAAEPHX2ALDH1A1KDM4ERECQL
SCHEMBL23660445 0.79 EPHX2 (0.53) HDAC1GAAEPHX2ALDH1A1HDAC2
SCHEMBL4522193 0.78 GAA (0.55) HDAC1GAAALDH1A1HDAC2KDM4E
SCHEMBL8195648 0.78 CDK1 (0.55) GAAEPHX2ALDH1A1KDM4EL3MBTL1
Hydrochloric Acid SCHEMBL5967195 0.78 KDM4E (0.65) HDAC1GAAALDH1A1KDM4ERECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114671880-B Synthesis and application of indole-2, 3-dinitrile antitumor compounds containing fatty amino 大连理工大学 2023-06-06 CN claimed
CN-114671880-A Synthesis and application of indole-2, 3-dinitrile antitumor compound containing aliphatic amino 大连理工大学 2022-06-28 CN claimed
CN-114671880-B Synthesis and application of indole-2, 3-dinitrile antitumor compounds containing fatty amino 大连理工大学 2023-06-06 CN disclosed
CN-114671880-A Synthesis and application of indole-2, 3-dinitrile antitumor compound containing aliphatic amino 大连理工大学 2022-06-28 CN disclosed
CN-114671880-A Synthesis and application of indole-2, 3-dinitrile antitumor compound containing aliphatic amino 大连理工大学 2022-06-28 CN disclosed
WO-2020211563-A1 INDAZOLE COMPOUNDS, PREPARATION METHOD THEREFOR AND USE THEREOF 浙江大学 2020-10-22 WO disclosed
US-20180134662-A1 Aminopyridine Based Buffers with Wide Buffering Ranges Antibiotics and Myelin Disease Therapy TPAT IP LLC 2018-05-17 US disclosed
US-9867813-B2 Aminopyridine based buffers with wide buffering ranges, antibiotics and myelin disease therapy TPAT IP LLC 2018-01-16 US disclosed
US-20170135998-A1 Aminopyridine Based Buffers with Wide Buffering Ranges, Antibiotics and Myelin Disease Therapy TPAT IP LLC 2017-05-18 US disclosed
US-20060223826-A1 Indole derivatives as somatostatin agonists or antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED INTELLECTUAL PROPERTY DEPARTMENT (JP) 2006-10-05 US disclosed
EP-1562898-A1 INDOLE DERIVATIVES AS SOMATOSTATIN AGONISTS OR ANTAGONISTS Takeda Pharmaceutical Company Limited (JP) 2005-08-17 EP disclosed
WO-2004046107-A1 INDOLE DERIVATIVES AS SOMATOSTATIN AGONISTS OR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-06-03 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-20060223826-A1 Indole derivatives as somatostatin agonists or antagonists SSTR1, SSTR3, NPY1R HDAC1 202/4885GAA 1823/4885EPHX2 3960/4885
US-20180134662-A1 Aminopyridine Based Buffers with Wide Buffering Ranges Antibiotics and Myelin Disease Therapy AQP4, PMP22, MAG HDAC1 2045/4885GAA 779/4885EPHX2 4145/4885
US-20170135998-A1 Aminopyridine Based Buffers with Wide Buffering Ranges, Antibiotics and Myelin Disease Therapy AQP4, PMP22, MAG HDAC1 2464/4885GAA 962/4885EPHX2 3995/4885

“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.