SCHEMBL6773023

SCHEMBL6773023

Cc1onc(-c2ccccc2)c1C(=O)NCCCCl

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.76
HDAC6 Q9UBN7 4/20 0.71
HDAC1 Q13547 2/20 0.71
HDAC3 O15379 2/20 0.71
NCOR2 Q9Y618 2/20 0.71
HDAC4 P56524 1/20 0.71
HDAC2 Q92769 1/20 0.71
HDAC5 Q9UQL6 1/20 0.71
GAA P10253 1/20 0.70
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
MAPT P10636 1/20 0.68
TSHR P16473 2/20 0.61
ALDH1A1 P00352 2/20 0.60
HTT P42858 2/20 0.60
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59

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
SCHEMBL26377827 0.89 GAA (0.83) L3MBTL1HDAC6HDAC1HDAC3NCOR2
SCHEMBL5534089 0.86 GAA (0.74) L3MBTL1HDAC6HDAC1HDAC3NCOR2
SCHEMBL6777737 0.85 L3MBTL1 (0.57) L3MBTL1HDAC6HDAC1HDAC3NCOR2
SCHEMBL7767632 0.84 L3MBTL1 (0.56) L3MBTL1HDAC6HDAC1HDAC3NCOR2
SCHEMBL5533585 0.83 L3MBTL1 (0.69) L3MBTL1HDAC6HDAC1HDAC3NCOR2
SCHEMBL12085534 0.82 L3MBTL1 (0.69) L3MBTL1HDAC6HDAC1HDAC3NCOR2
SCHEMBL1930296 0.80 MEN1 (0.70) L3MBTL1HDAC6HDAC1HDAC3NCOR2
SCHEMBL976467 0.78 TSHR (0.68) L3MBTL1HDAC6HDAC1GAAMEN1
SCHEMBL352886 0.78 TSHR (0.68) L3MBTL1GAAMEN1KMT2ATSHR
Oxirane SCHEMBL6772854 0.78 L3MBTL1 (0.61) L3MBTL1HDAC6HDAC1HDAC3NCOR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018139-A1 NEW SMALL-MOLECULE COMPOUNDS FOR CONTROLLING ENDOSOMAL TOLL-LIKE RECEPTORS AND THERAPEUTIC AGENT FOR AUTOIMMUNE DISEASES USING SAME S&K THERAPEUTICS (KR) 2024-01-18 US disclosed
EP-4253382-A1 NEW SMALL-MOLECULE COMPOUND FOR CONTROLLING ENDOSOMAL TOLL-LIKE RECEPTOR AND THERAPEUTIC AGENT FOR AUTOIMMUNE DISEASES USING SAME S&K Therapeutics (KR) 2023-10-04 EP disclosed
CN-116507329-A Novel small molecule compounds for controlling endosomal Toll-like receptor and therapeutic agent for autoimmune disease using the same S和K 疗法公司 2023-07-28 CN disclosed
US-6680319-B2 TREATMENT OF OBSTRUCTIVE SYNDROMES OF THE LOWER URINARY TRACT, INCLUDING BENIGN PROSTATIC HYPERPLASIA, TREATMENT OF LOWER URINARY TRACT SYMPTOMS RECORDATI S.A. (CH) 2004-01-20 US disclosed
EP-1226131-B1 ISOXAZOLECARBOXAMIDE DERIVATIVES RECORDATI CHEM PHARM (IT) 2003-12-17 EP disclosed
US-20020183290-A1 Adrenergic receptor antagonists selective for both alpha1A-and alpha1D-subtypes and uses therefor RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY 2002-12-05 US disclosed
US-20020161012-A1 Isoxazolecarboxamide derivatives RECORDATI, S.A., CHEMICAL AND PHARMACEUTICAL COMPANY 2002-10-31 US disclosed
WO-2002060534-A2 SELECTIVE ALPHA 1 ANTAGONISTS A + D RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA SPA (IT) 2002-08-08 WO disclosed
US-6365591-B1 FOR THERAPY OF OBSTRUCTIVE SYNDROMES OF THE LOWER URINARY TRACT, INCLUDING BENIGN PROSTATIC HYPERPLASIA (BPH), AND IN THE TREATMENT OF LOWER URINARY TRACT SYMPTOMS (LUTS) AND NEUROGENIC LOWER URINARY TRACT DYSFUNCTION (NLUTD) RECORDATI, S.A., CHEMICAL AND PHARMACUETICALS COMPANY (CH) 2002-04-02 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 (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-20240018139-A1 NEW SMALL-MOLECULE COMPOUNDS FOR CONTROLLING ENDOSOMAL TOLL-LIKE RECEPTORS AND THERAPEUTIC AGENT FOR AUTOIMMUNE DISEASES USING SAME TLR9, TLR8, TLR3 L3MBTL1 1259/4885HDAC6 799/4885HDAC1 1684/4885
US-20020183290-A1 Adrenergic receptor antagonists selective for both alpha1A-and alpha1D-subtypes and uses therefor ADRB1, ADRA1D, ADRA1B L3MBTL1 1517/4885HDAC6 4348/4885HDAC1 3152/4885
US-20020161012-A1 Isoxazolecarboxamide derivatives ADRA1D, NMUR1, NMUR2 L3MBTL1 1977/4885HDAC6 1537/4885HDAC1 1224/4885

“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.