SCHEMBL4092371

SCHEMBL4092371

NC(=O)CCCc1c[nH]c2ccccc12

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.75
MEN1 O00255 1/20 0.68
KMT2A Q03164 1/20 0.68
CYP1A2 P05177 2/20 0.66
CYP3A4 P08684 2/20 0.66
CYP2D6 P10635 2/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
CYP2C9 P11712 1/20 0.66
CYP2C19 P33261 1/20 0.66
MPO P05164 4/20 0.65
SLC6A4 P31645 1/20 0.65
KDM4E B2RXH2 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
MAPT P10636 2/20 0.64
GAA P10253 1/20 0.64
CYP2A6 P11509 1/20 0.60
NFKB1 P19838 1/20 0.60
HTR1D P28221 1/20 0.60
HTR1B P28222 1/20 0.60
HTR2A P28223 1/20 0.60

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
SCHEMBL2378991 0.95 ALDH1A1 (0.69) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL2379635 0.94 ALDH1A1 (0.67) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL664283 0.92 MAPT (0.70) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL29053759 0.90 MAPT (0.68) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL29363142 0.87 MEN1 (0.68) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL27551570 0.87 MEN1 (0.68) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL29608427 0.87 MEN1 (0.68) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL35884 0.87 MEN1 (0.68) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL1520294 0.86 MEN1 (0.63) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL10344942 0.86 ALDH1A1 (0.68) ALDH1A1MEN1KMT2ACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1670804-A2 HETEROBICYCLIC COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS GPC Biotech AG (DE) 2006-06-21 EP claimed
WO-2005023818-A2 HETEROBICYCLIC COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS GPC BIOTECH AG (DE) 2005-03-17 WO claimed
US-4411684-A Auxin compositions of N-phenyl and N-chloro phenyl indolyl-3-alkylene amides and their use as auxin growth regulators THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1983-10-25 US claimed
US-12018092-B2 Covalent heterobivalent antibody inhibitors and ligands UNIVERSITY OF NOTRE DAME DU LAC (US) 2024-06-25 US disclosed
CN-113943244-A Sulfur-containing gamma, gamma-diindolyl butyramide compound prepared by double-functionalization reaction 温州大学 2022-01-18 CN disclosed
US-20210353763-A1 SITE-SPECIFIC COVALENT CHEMICAL LIGATION TO MONOCLONAL AND POLYCLONAL IMMUNOGLOBULIN THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-11-18 US disclosed
WO-2021102052-A1 DIRECTED CONJUGATION TECHNOLOGIES KLEO PHARMACEUTICALS, INC. (US) 2021-05-27 WO disclosed
US-20210115157-A1 COVALENT HETEROBIVALENT ANTIBODY INHIBITORS AND LIGANDS UNIVERSITY OF NOTRE DAME DU LAC (US) 2021-04-22 US disclosed
US-10588982-B2 Site-specific covalent chemical ligation to monoclonal and polyclonal immunoglobulin THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-03-17 US disclosed
US-20180140715-A1 SITE-SPECIFIC COVALENT CHEMICAL LIGATION TO MONOCLONAL AND POLYCLONAL IMMUNOGLOBULIN THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2018-05-24 US disclosed
US-9206156-B2 Substituted indole derivatives Grünenthal GmbH (DE) 2015-12-08 US disclosed
US-20040077557-A1 Macrolide antibiotics GLAXO GROUP LIMITED (GB) 2004-04-22 US disclosed
US-6291683-B1 AS ANTIDEPRESSANTS AMERICAN HOME PRODUCTS CORP 2001-09-18 US disclosed
EP-1070050-A1 N-ARYLOXYETHYL-INDOLY-ALKYLAMINES FOR THE TREATMENT OF DEPRESSION (5-HT1A RECEPTOR ACTIVE AGENTS) AMERICAN HOME PRODUCTS CORPORATION (US) 2001-01-24 EP disclosed
US-6121307-A SIDE EFFECT REDUCTION; ADMINISTERING TO TREAT DEPRESSION AMERICAN HOME PRODUCTS CORP. (US) 2000-09-19 US disclosed
WO-1999051575-A1 N-ARYLOXYETHYL-INDOLY-ALKYLAMINES FOR THE TREATMENT OF DEPRESSION (5-HT1A RECEPTOR ACTIVE AGENTS) AMERICAN HOME PRODUCTS CORPORATION (US) 1999-10-14 WO disclosed
EP-0376607-B1 Piperazinyl derivatives LUNDBECK & CO AS H (DK) 1994-03-02 EP disclosed
US-5002948-A Central Nervous System Disorders H. LUNDBECK A/S (DK) 1991-03-26 US disclosed
EP-0376607-A1 Piperazinyl derivatives H. LUNDBECK A/S (DK) 1990-07-04 EP disclosed
US-4411684-A Auxin compositions of N-phenyl and N-chloro phenyl indolyl-3-alkylene amides and their use as auxin growth regulators THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1983-10-25 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 (6 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-20180140715-A1 SITE-SPECIFIC COVALENT CHEMICAL LIGATION TO MONOCLONAL AND POLYCLONAL IMMUNOGLOBULIN FCGR3B, FCGR2A, FCGR1A ALDH1A1 1754/4885MEN1 4023/4885KMT2A 662/4885
US-12018092-B2 Covalent heterobivalent antibody inhibitors and ligands BTD, DBI, FCER2 ALDH1A1 4563/4885MEN1 3537/4885KMT2A 803/4885
US-20210353763-A1 SITE-SPECIFIC COVALENT CHEMICAL LIGATION TO MONOCLONAL AND POLYCLONAL IMMUNOGLOBULIN FCGR3B, FCGR2A, FCGR1A ALDH1A1 1754/4885MEN1 4023/4885KMT2A 662/4885
US-10588982-B2 Site-specific covalent chemical ligation to monoclonal and polyclonal immunoglobulin FCGR3B, FCGR2A, FCGR1A ALDH1A1 1754/4885MEN1 4023/4885KMT2A 662/4885
US-20040077557-A1 Macrolide antibiotics MALT1, MRPL21, IL1R1 ALDH1A1 2482/4885MEN1 2870/4885KMT2A 2312/4885
US-20210115157-A1 COVALENT HETEROBIVALENT ANTIBODY INHIBITORS AND LIGANDS BTD, DBI, FCER2 ALDH1A1 4563/4885MEN1 3537/4885KMT2A 803/4885

“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.