SCHEMBL1286

SCHEMBL1286

O=C1NCCc2[nH]c3ccccc3c21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.58
HPGD P15428 2/20 0.58
HTT P42858 2/20 0.58
MEN1 O00255 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2C19 P33261 1/20 0.58
KMT2A Q03164 1/20 0.58
TUBB4A P04350 1/20 0.57
TUBB P07437 1/20 0.57
TUBA3C P0DPH7 1/20 0.57
TUBA1B P68363 1/20 0.57
TUBA4A P68366 1/20 0.57
TUBB4B P68371 1/20 0.57
TUBB3 Q13509 1/20 0.57
TUBB2A Q13885 1/20 0.57
TUBB8 Q3ZCM7 1/20 0.57
TUBA3E Q6PEY2 1/20 0.57
TUBA1A Q71U36 1/20 0.57
TUBA1C Q9BQE3 1/20 0.57
TUBB6 Q9BUF5 1/20 0.57

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
SCHEMBL619090 0.90 KDR (0.60) KDM4EHPGDHTTMEN1CYP1A2
SCHEMBL484701 0.82 MAP3K11 (0.55) KDM4EHPGDHTTMEN1CYP1A2
SCHEMBL3427648 0.78 TUBB4A (0.68) KDM4EHPGDHTTMEN1CYP1A2
SCHEMBL797894 0.78 KDR (0.54) KDM4EHTTKDRHTR2AHTR2C
SCHEMBL7292576 0.78 PARP1 (0.46) KDM4EHPGDMEN1KMT2AKDR
SCHEMBL30451928 0.77 KDM4E (0.50) KDM4EHPGDHTTMEN1CYP1A2
SCHEMBL4287798 0.77 KDM4E (0.50) KDM4EHPGDHTTMEN1CYP1A2
SCHEMBL7294516 0.74 CDC7 (0.52) KDM4EHPGDHTTMEN1CYP1A2
SCHEMBL7286094 0.74 CDC7 (0.52) KDM4EHPGDHTTMEN1CYP1A2
SCHEMBL7283436 0.74 CDC7 (0.52) KDM4EHPGDHTTMEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3148543-B1 SMALL MOLECULE TRANSCRIPTION MODULATORS OF BROMODOMAINS ICAHN SCHOOL MED MOUNT SINAI (US) 2020-04-08 EP disclosed
US-10065951-B2 Small molecule transcription modulators of bromodomains ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2018-09-04 US disclosed
US-20170107218-A1 Small Molecule Transcription Modulators of Bromodomains NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-04-20 US disclosed
US-20170107218-A1 Small Molecule Transcription Modulators of Bromodomains NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-04-20 US disclosed
US-20170107218-A1 Small Molecule Transcription Modulators of Bromodomains NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-04-20 US disclosed
EP-3148543-A2 SMALL MOLECULE TRANSCRIPTION MODULATORS OF BROMODOMAINS Icahn School of Medicine at Mount Sinai (US) 2017-04-05 EP disclosed
WO-2015184257-A2 SMALL MOLECULE TRANSCRIPTION MODULATORS OF BROMODOMAINS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2015-12-03 WO disclosed
WO-2015184257-A2 SMALL MOLECULE TRANSCRIPTION MODULATORS OF BROMODOMAINS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2015-12-03 WO disclosed
US-8946260-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-02-03 US disclosed
US-20140315889-A1 HYDROXAMATE DERIVATIVES FOR HDAC INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THEREOF CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2014-10-23 US disclosed
US-20100113478-A1 INDOLONE MODULATORS OF 5-HT3 RECEPTOR AUSPEX PHARMACEUTICALS, INC. (US) 2010-05-06 US disclosed
EP-0458624-B1 Process for the preparation of lactam derivatives GLAXO GROUP LTD (GB) 1998-04-01 EP disclosed
EP-0353983-B1 Lactam derivatives GLAXO GROUP LTD (GB) 1996-05-29 EP disclosed
US-5360800-A Tetrahydro-1H-pyrido[4,3-b]indol-1-one derivatives GLAXO GROUP LIMITED (GB) 1994-11-01 US disclosed
EP-0306323-B1 Lactam derivatives GLAXO GROUP LTD (GB) 1994-09-21 EP disclosed
US-5196534-A PROCESS FOR THE PREPARATION OF LACTAM DERIVATIVES GLAXO GROUP LIMITED (GB) 1993-03-23 US disclosed
US-5183820-A Useful for treatment of nausea, vomiting, irritable bowel syndrome and dyspepsia GLAXO GROUP LIMITED (GB) 1993-02-02 US disclosed
EP-0458624-A1 Process for the preparation of lactam derivatives GLAXO GROUP LIMITED (GB) 1991-11-27 EP disclosed
EP-0353983-A2 Lactam derivatives GLAXO GROUP LIMITED (GB) 1990-02-07 EP disclosed
EP-0306323-A2 Lactam derivatives GLAXO GROUP LIMITED (GB) 1989-03-08 EP 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 (4 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-20140315889-A1 HYDROXAMATE DERIVATIVES FOR HDAC INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THEREOF HDAC1, HDAC5, HDAC3 KDM4E 229/4885HPGD 191/4885HTT 50/4885
US-20170107218-A1 Small Molecule Transcription Modulators of Bromodomains NFRKB, NFKBIA, RELA KDM4E 1539/4885HPGD 1327/4885HTT 1041/4885
US-20100113478-A1 INDOLONE MODULATORS OF 5-HT3 RECEPTOR HTR3A, HTR3B, HTR3E KDM4E 2349/4885HPGD 911/4885HTT 779/4885
US-10065951-B2 Small molecule transcription modulators of bromodomains NFRKB, NFKBIA, RELA KDM4E 1539/4885HPGD 1327/4885HTT 1041/4885

“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.