SCHEMBL7487334

SCHEMBL7487334

O=C(O)/C=C/c1ccc(OCCN2CCOCC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.61
NFE2L2 Q16236 2/20 0.61
KDM4E B2RXH2 2/20 0.60
ALDH1A1 P00352 1/20 0.60
GAA P10253 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
HPGD P15428 1/20 0.56
LTA4H P09960 2/20 0.55
TBXAS1 P24557 2/20 0.55
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55

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
SCHEMBL7487343 1.00 KEAP1 (0.61) KEAP1NFE2L2KDM4EALDH1A1GAA
Hydrochloric Acid SCHEMBL3424525 0.99 KEAP1 (0.63) KEAP1NFE2L2KDM4EALDH1A1GAA
Hydrochloric Acid SCHEMBL3424522 0.99 KEAP1 (0.63) KEAP1NFE2L2KDM4EALDH1A1GAA
SCHEMBL17061257 0.90 KEAP1 (0.61) KEAP1NFE2L2KDM4EALDH1A1GAA
SCHEMBL16485615 0.90 KEAP1 (0.61) KEAP1NFE2L2KDM4EALDH1A1GAA
SCHEMBL7488041 0.88 LTA4H (0.70) KDM4ELTA4HTBXAS1
SCHEMBL7488032 0.88 LTA4H (0.70) KDM4ELTA4HTBXAS1
SCHEMBL13460611 0.86 KEAP1 (0.64) KEAP1NFE2L2KDM4EALDH1A1GAA
Hydrochloric Acid SCHEMBL3424487 0.85 TBXAS1 (0.57) KEAP1NFE2L2KDM4EALDH1A1NPC1
SCHEMBL19025439 0.85 TBXAS1 (0.55) KDM4ELTA4HTBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2907805-B1 NOVEL PYRAZOLE DERIVATIVE GREEN TECHNOLOGY CO LTD (JP) 2020-07-22 EP disclosed
US-9724333-B2 Pyrazole derivative GREEN TECH CO., LTD. (JP) 2017-08-08 US disclosed
US-20160228412-A1 NOVEL PYRAZOLE DERIVATIVE GREEN TECH CO., LTD. (JP) 2016-08-11 US disclosed
US-9321752-B2 Pyrazole derivative GREEN TECH CO., LTD. (JP) 2016-04-26 US disclosed
US-20150252029-A1 Novel Pyrazole Derivative GREEN TECH CO., LTD. (JP) 2015-09-10 US disclosed
EP-2907805-A1 NOVEL PYRAZOLE DERIVATIVE Green Tech Co., Ltd. (JP) 2015-08-19 EP disclosed
WO-2010027280-A1 NITROBENZINDOLES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2010-03-11 WO disclosed
EP-0912567-B1 CARBOLINE DERIVATIVES ICOS CORP (US) 2002-04-10 EP disclosed
US-6306870-B1 PHOSPHODIESTERASE ENZYME INHIBITORS, CARDIOVASCULAR DISORDERS AND SEXUAL DISORDERS ICOS CORPORATION 2001-10-23 US disclosed
US-6117881-A POTENT AND SELECTIVE INHIBITORS OF CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE SPECIFIC PHOSPHODIESTERASE ICOS CORPORATION (US) 2000-09-12 US disclosed
US-6043252-A A POTENT AND SELECTIVE INHIBITORS OF CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE SPECIFIC PHOSPHODIESTERASE (CGMP-SPECIFIC PDE); TREATING CARDIOVASCULAR DISORDERS AND ERECTILE DYSFUNCTION ICOS CORPORATION (US) 2000-03-28 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 (2 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-20160228412-A1 NOVEL PYRAZOLE DERIVATIVE PSEN2, PSEN1, MAPT KEAP1 1626/4885NFE2L2 1662/4885KDM4E 4095/4885
US-20150252029-A1 Novel Pyrazole Derivative PSEN2, PSEN1, MAPT KEAP1 1626/4885NFE2L2 1662/4885KDM4E 4095/4885

“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.