SCHEMBL211606

SCHEMBL211606

c1ccc(OCCN2CCNCC2)cc1

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 7/20 0.77
ALDH1A1 P00352 3/20 0.62
KDM4E B2RXH2 2/20 0.62
SIGMAR1 Q99720 2/20 0.59
MAPT P10636 2/20 0.58
TDP1 Q9NUW8 1/20 0.58
TMEM97 Q5BJF2 1/20 0.56
ESRRG P62508 2/20 0.55
KCNA5 P22460 1/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL9122265 1.00 LTA4H (0.77) LTA4HALDH1A1KDM4ESIGMAR1MAPT
SCHEMBL5455464 0.94 LTA4H (0.69) LTA4HALDH1A1KDM4ESMN1; SMN2
SCHEMBL9097701 0.91 LTA4H (0.66) LTA4HALDH1A1KDM4ESIGMAR1MAPT
SCHEMBL22266156 0.90 LTA4H (0.65) LTA4HALDH1A1KDM4ESIGMAR1MAPT
SCHEMBL5752269 0.90 LTA4H (0.64) LTA4HALDH1A1MAPTMEN1KMT2A
SCHEMBL22266155 0.88 LTA4H (0.62) LTA4H
SCHEMBL22151427 0.88 LTA4H (0.79) LTA4HALDH1A1KDM4EESRRGSMN1; SMN2
SCHEMBL7142372 0.88 LTA4H (1.00) LTA4H
SCHEMBL11874817 0.86 LTA4H (0.68) LTA4HALDH1A1KDM4ESIGMAR1MAPT
SCHEMBL5331925 0.85 HRH3 (0.67) LTA4HALDH1A1KDM4ESIGMAR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116655518-A Isatin derivative and preparation method and application thereof 东南大学 2023-08-29 CN claimed
US-20140273458-A1 Chemical Mechanical Planarization for Tungsten-Containing Substrates AIR PRODUCTS AND CHEMICALS, INC. (US) 2014-09-18 US claimed
EP-2779217-A2 Chemical mechanical planarization for tungsten-containing substrates AIR PRODUCTS AND CHEMICALS, INC. (US) 2014-09-17 EP claimed
CN-104046246-A Chemical Mechanical Planarization for Tungsten-Containing Substrates AIR PROD & CHEM 2014-09-17 CN claimed
CN-116655518-A Isatin derivative and preparation method and application thereof 东南大学 2023-08-29 CN disclosed
US-10723717-B2 Compounds and methods for the targeted degradation of rapidly accelerated fibrosarcoma polypeptides ARVINAS OPERATIONS, INC. (US) 2020-07-28 US disclosed
US-10113049-B2 Thermoplastic resin composition NIPPON NYUKAZAI CO., LTD. (JP) 2018-10-30 US disclosed
EP-2744775-B1 BAX AGONIST, COMPOSITIONS, AND METHODS RELATED THERETO UNIV EMORY (US) 2018-03-07 EP disclosed
US-9730944-B2 Antiviral activity of novel bicyclic heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2017-08-15 US disclosed
US-9573966-B2 Anti-cancer activity of novel bicyclic heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2017-02-21 US disclosed
US-20160297823-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME INSTITUTE FOR DRUG DISCOVERY, LLC 2016-10-13 US disclosed
EP-2616077-B1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES UNIV LEUVEN KATH (BE) 2016-08-31 EP disclosed
EP-0859607-A4 GUANIDINO PROTEASE INHIBITORS DIMENSIONAL PHARM INC (US) 1999-05-06 EP disclosed
EP-0859607-A1 GUANIDINO PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1998-08-26 EP disclosed
US-5792769-A POTENT ANTICOAGULANT, ANTIINFLAMMATORY AGENT; TREATMENT/PROPHYLAXIS OF RESPIRATORY SYSTEM DISORDERS, VASCULAR SYSTEM DISORDERS, ANTITUMOR AGENTS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1998-08-11 US disclosed
WO-1997011693-A1 GUANIDINO PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1997-04-03 WO disclosed
US-5395934-A Antiarrhythmia agents and cardiovascular disorders EGIS GYOGYSZERGYAR (HU) 1995-03-07 US disclosed
US-4582833-A HYPOTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1986-04-15 US disclosed
US-4562189-A HYPOTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1985-12-31 US disclosed
US-4259334-A Piperazines and therapeutic utility LAROCHE NAVARRON S.A. (FR) 1981-03-31 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-20160297823-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME CMA1, CHIA, AADAC LTA4H 145/4885ALDH1A1 1006/4885KDM4E 2405/4885
US-10723717-B2 Compounds and methods for the targeted degradation of rapidly accelerated fibrosarcoma polypeptides CRBN, ARAF, VHL LTA4H 3562/4885ALDH1A1 2833/4885KDM4E 3116/4885

“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.