SCHEMBL4643729

SCHEMBL4643729

c1ccc(NCCCCCCNc2ccccc2)cc1

nearest known ligand 0.84

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.84
MAPT P10636 1/20 0.84
L3MBTL1 Q9Y468 1/20 0.56
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
NCOR2 Q9Y618 1/20 0.50
KCNH3 Q9ULD8 2/20 0.48
PRSS1 P07477 5/20 0.48
F2 P00734 2/20 0.48
PRSS2 P07478 2/20 0.48
PRSS3 P35030 2/20 0.48
TMPRSS6 Q8IU80 2/20 0.48
ST14 Q9Y5Y6 2/20 0.48
MAOA P21397 1/20 0.46
ACHE P22303 1/20 0.46
SIGMAR1 Q99720 1/20 0.44
CHRM2 P08172 1/20 0.44

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
SCHEMBL4104788 1.00 ALDH1A1 (0.84) ALDH1A1MAPTL3MBTL1HDAC3HDAC1
SCHEMBL11759173 1.00 ALDH1A1 (0.84) ALDH1A1MAPTL3MBTL1HDAC3HDAC1
SCHEMBL14968385 1.00 ALDH1A1 (0.84) ALDH1A1MAPTL3MBTL1HDAC3HDAC1
Bromide SCHEMBL28355691 0.97 ALDH1A1 (0.80) ALDH1A1MAPTL3MBTL1HDAC3HDAC1
SCHEMBL4970157 0.97 ALDH1A1 (0.89) ALDH1A1MAPTL3MBTL1HDAC3HDAC1
SCHEMBL2065279 0.92 ALDH1A1 (1.00) ALDH1A1MAPTL3MBTL1HDAC3HDAC1
SCHEMBL18660199 0.91 ALDH1A1 (0.70) ALDH1A1MAPTL3MBTL1HDAC3HDAC1
SCHEMBL18660177 0.91 ALDH1A1 (0.70) ALDH1A1MAPTL3MBTL1HDAC3HDAC1
SCHEMBL19018359 0.91 ALDH1A1 (0.70) ALDH1A1MAPTL3MBTL1HDAC3HDAC1
SCHEMBL8628601 0.91 ALDH1A1 (0.77) ALDH1A1MAPTL3MBTL1MAOASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2999736-A1 METHOD OF AEROGEL SYNTHESIS NeXolve Corporation (US) 2016-03-30 EP claimed
EP-4638539-A1 COATING COMPOSITIONS WITH CATALYTIC SYSTEM PPG Industries Ohio, Inc. (US) 2025-10-29 EP disclosed
WO-2024137905-A1 COATING COMPOSITIONS WITH CATALYTIC SYSTEM PPG INDUSTRIES OHIO, INC. (US) 2024-06-27 WO disclosed
EP-0934924-B1 NOVEL DIAMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME KOWA CO (JP) 2008-08-13 EP disclosed
US-6576642-B2 Inhibitors of the production of Ig E antibodies, antiallergens KOWA CO., LTD. (JP) 2003-06-10 US disclosed
US-20010039279-A1 Diamide compounds and compositions containing the same KOWA CO., LTD. (JP) 2001-11-08 US disclosed
US-6297283-B1 EXCELLENT INHIBITORY EFFECT ON THE PRODUCTION OF AN IGE ANTIBODY AND ARE HENCE USEFUL AS ANTIALLERGIC AGENTS KOWA CO., LTD. (JP) 2001-10-02 US disclosed
US-6143917-A FROM A DIARYL CARBONATE AND AN AMINE COMPOUND HAVING AT LEAST ONE HYDROGEN ATOM LOCATED AT AN N-POSITION UNDER MODERATE CONDITIONS AT A HIGH REACTION RATE WITH A HIGH SELECTIVITY AND WITH A HIGH YIELD UBE INDUSTRIES, LTD. (JP) 2000-11-07 US disclosed
EP-0934924-A1 NOVEL DIAMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME KOWA CO. LTD. (JP) 1999-08-11 EP disclosed
EP-0902014-A1 PROCESS FOR PRODUCING ARYL CARBAMATES UBE INDUSTRIES LIMITED (JP) 1999-03-17 EP disclosed
EP-0308745-B1 THICKENED MOULDING COMPOSITION BASF Aktiengesellschaft (DE) 1992-11-19 EP disclosed
US-5047455-A Containing liquid, polymerizable reactive system, isocyanate, initiator and additive shelf life BASF AKTIENGESELLSCHAFT (DE) 1991-09-10 US disclosed
WO-1990009798-A1 IMMOBILIZED CYTOKINES IMMUNOTHERAPEUTICS, INC. (US) 1990-09-07 WO disclosed
US-4179469-A Preparation of amines UOP INC. (US) 1979-12-18 US disclosed
US-3965182-A Preparation of aniline from phenol and ammonia ETHYL CORPORATION (US) 1976-06-22 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 (1 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-20010039279-A1 Diamide compounds and compositions containing the same HRH4, HRH2, HRH1 ALDH1A1 1240/4885MAPT 1936/4885L3MBTL1 1887/4885

“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.