SCHEMBL997022

SCHEMBL997022

Nc1cc(C(F)(F)F)ccc1N1CCCCC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.71
KDM4E B2RXH2 5/20 0.71
LMNA P02545 3/20 0.71
GAA P10253 4/20 0.60
HTT P42858 3/20 0.60
S100B P04271 2/20 0.59
PKM P14618 2/20 0.57
L3MBTL1 Q9Y468 3/20 0.51
POLB P06746 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
HSD17B10 Q99714 2/20 0.51
KEAP1 Q14145 1/20 0.50
RAB9A P51151 2/20 0.49
KDR P35968 1/20 0.48
SRPK2 P78362 1/20 0.48
SRPK1 Q96SB4 1/20 0.48
SRPK3 Q9UPE1 1/20 0.48
MAPT P10636 2/20 0.48
NPSR1 Q6W5P4 2/20 0.47
NPC1 O15118 1/20 0.47

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
SCHEMBL1110535 1.00 ALDH1A1 (0.71) ALDH1A1KDM4ELMNAGAAHTT
SCHEMBL1110503 1.00 ALDH1A1 (0.71) ALDH1A1KDM4ELMNAGAAHTT
SCHEMBL1110554 1.00 ALDH1A1 (0.71) ALDH1A1KDM4ELMNAGAAHTT
SCHEMBL330331 0.98 ALDH1A1 (0.73) ALDH1A1KDM4ELMNAGAAHTT
SCHEMBL5494223 0.95 ALDH1A1 (0.73) ALDH1A1KDM4ELMNAGAAHTT
SCHEMBL28338201 0.91 ALDH1A1 (0.78) ALDH1A1KDM4ELMNAGAAHTT
SCHEMBL23851033 0.86 ALDH1A1 (0.59) ALDH1A1KDM4ELMNAGAAHTT
SCHEMBL23850823 0.85 ALDH1A1 (0.89) ALDH1A1KDM4ELMNAGAAPKM
SCHEMBL6630046 0.85 ALDH1A1 (0.61) ALDH1A1KDM4ELMNAGAAHTT
SCHEMBL23851217 0.83 ALDH1A1 (0.72) ALDH1A1KDM4ELMNAGAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP claimed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP claimed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP claimed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO claimed
US-12485169-B2 Compounds Grey Wolf Therapeutics Limited (GB) 2025-12-02 US disclosed
CN-120025279-A Compounds capable of modulating endoplasmic reticulum aminopeptidase 1 格雷沃尔夫治疗有限公司 2025-05-23 CN disclosed
US-20230064417-A1 COMPOUNDS Grey Wolf Therapeutics Limited (GB) 2023-03-02 US disclosed
US-20220315548-A1 SMALL MOLECULE AGONISTS OF MUCOLIPIN 1 AND USES THEREOF NATIONAL CENTER FOR ADVANCING TRANSLATIONAL SCIENCES 2022-10-06 US disclosed
EP-3883650-A1 COMPOUNDS Grey Wolf Therapeutics Limited (GB) 2021-09-29 EP disclosed
WO-2021041866-A1 SMALL MOLECULE AGONISTS OF MUCOLIPIN 1 AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2021-03-04 WO disclosed
EP-1836174-B2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2019-10-02 EP disclosed
EP-2666481-B9 Method of regulating phosphorylation of sr protein and antiviral agents comprising sr protein activity regulator as the active ingredient HAGIWARA MASATOSHI (JP) 2019-05-22 EP disclosed
WO-2005070891-A2 COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2005-08-04 WO disclosed
EP-1555018-A1 REMEDIES FOR NEURODEGENERATIVE DISEASES Institute of Medicinal Molecular Design, Inc. (JP) 2005-07-20 EP disclosed
EP-1535610-A1 THERAPEUTIC AGENT FOR CANCER Institute of Medicinal Molecular Design, Inc. (JP) 2005-06-01 EP disclosed
EP-1535609-A1 NF-KB ACTIVATION INHIBITORS Institute of Medicinal Molecular Design, Inc. (JP) 2005-06-01 EP disclosed
EP-1514544-A1 ANTIALLERGIC Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-16 EP disclosed
EP-1512396-A1 INHIBITORS AGAINST THE ACTIVATION OF AP-1 AND NFAT Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-09 EP disclosed
EP-1510207-A1 THERAPEUTIC DRUG FOR DIABETES Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-02 EP disclosed
EP-1510210-A1 IMMUNITY-RELATED PROTEIN KINASE INHIBITORS Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-02 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 (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-20220315548-A1 SMALL MOLECULE AGONISTS OF MUCOLIPIN 1 AND USES THEREOF MCOLN1, MCOLN2, MCOLN3 ALDH1A1 1368/4885KDM4E 4671/4885LMNA 581/4885
US-20230064417-A1 COMPOUNDS H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HRH4, CBR3 ALDH1A1 2613/4885KDM4E 2853/4885LMNA 2596/4885
US-12485169-B2 Compounds SLC10A1, VHL, CFTR ALDH1A1 276/4885KDM4E 4372/4885LMNA 2582/4885

“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.