SCHEMBL3685010

SCHEMBL3685010

COc1ccc2[nH]c3cnccc3c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHUK O15111 9/20 1.00
ACHE P22303 3/20 0.79
KDM4E B2RXH2 4/20 0.68
MAPT P10636 4/20 0.68
MEN1 O00255 3/20 0.68
KMT2A Q03164 3/20 0.68
ALDH1A1 P00352 3/20 0.68
HSD17B10 Q99714 2/20 0.68
TSHR P16473 1/20 0.68
GFER P55789 1/20 0.68
HPGD P15428 2/20 0.63
TLR3 O15455 1/20 0.59
NR3C1 P04150 1/20 0.59
POLB P06746 1/20 0.59
KIT P10721 1/20 0.59
PKM P14618 1/20 0.59
RECQL P46063 1/20 0.59
RAB9A P51151 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
GABRP O00591 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
SCHEMBL29986061 1.00 CHUK (1.00) CHUKACHEKDM4EMAPTMEN1
SCHEMBL31451646 0.89 ACHE (1.00) CHUKACHEKDM4EMAPTMEN1
SCHEMBL27351126 0.89 ACHE (1.00) CHUKACHEKDM4EMAPTMEN1
SCHEMBL4823690 0.89 CHUK (0.79) CHUKACHEKDM4EALDH1A1HSD17B10
SCHEMBL24277019 0.83 ACHE (0.73) CHUKACHEKDM4EMAPTMEN1
SCHEMBL2597652 0.82 ALDH1A1 (1.00) CHUKACHEKDM4EMAPTMEN1
SCHEMBL29391519 0.82 ALDH1A1 (1.00) CHUKACHEKDM4EMAPTMEN1
SCHEMBL27098859 0.81 ACHE (0.79) CHUKACHEKDM4EMAPTMEN1
SCHEMBL30667681 0.81 ACHE (0.79) CHUKACHEKDM4EMAPTMEN1
SCHEMBL31451485 0.80 ALDH1A1 (0.72) CHUKACHEKDM4EMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-63250378-A None JP disclosed
US-20250367173-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME LIGACHEM BIOSCIENCES INC (KR) 2025-12-04 US disclosed
EP-4540245-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME LigaChem Biosciences Inc. (KR) 2025-04-23 EP disclosed
WO-2023242631-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME LEGOCHEM BIOSCIENCES, INC. (KR) 2023-12-21 WO disclosed
WO-2023242631-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME LEGOCHEM BIOSCIENCES, INC. (KR) 2023-12-21 WO disclosed
EP-3538529-B1 SELECTIVE INHIBITORS OF GENOTOXIC STRESS-INDUCED IKK/NF-KB PATHWAYS MAX DELBRUECK CENTRUM FUER MOLEKULARE MEDIZIN HELMHOLTZ GEMEINSCHAFT (DE) 2022-01-19 EP disclosed
US-11028084-B2 Selective inhibitors of gentotoxic steress-induced IKK/NF-κB pathways MAX-DELBRÜCK-CENTRUM FÜR MOLEKULARE MEDIZIN IN DER HELMHOLTZ-GEMEINSCHAFT (DE) 2021-06-08 US disclosed
EP-3538529-A1 SELECTIVE INHIBITORS OF GENOTOXIC STRESS-INDUCED IKK/NF-kB PATHWAYS Max-Delbrück-Centrum für Molekulare Medizin in der Helmholtz-Gemeinschaft (DE) 2019-09-18 EP disclosed
US-20190276452-A1 SELECTIVE INHIBITORS OF GENTOTOXIC STERESS-INDUCED IKK/NF-KB PATHWAYS FORSCHUNGSVERBUND BERLIN E.V. (DE) 2019-09-12 US disclosed
CN-109963850-A The selective depressant of genotoxicity stress-induced IKK/NF- kB pathway 马克思-德布鲁克-分子医学中心亥姆霍兹联合会 2019-07-02 CN disclosed
US-7658957-B2 Anti-arthritic herbal composition and method thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2010-02-09 US disclosed
US-7618663-B2 Anti-arthritic herbal composition and method thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2009-11-17 US disclosed
US-20080118587-A1 ANTI-ARTHRITIC HERBAL COMPOSITION AND METHOD THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (CSIR) (IN) 2008-05-22 US disclosed
US-20080118588-A1 ANTI-ARTHRITIC HERBAL COMPOSITION AND METHOD THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2008-05-22 US disclosed
US-7348336-B2 Substituted β-carbolines SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-03-25 US disclosed
US-7348336-B2 Substituted β-carbolines SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-03-25 US disclosed
US-7338674-B2 Anti-arthritic herbal composition and method thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2008-03-04 US disclosed
US-20060141061-A1 Anti-arthritic herbal composition and method thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2006-06-29 US disclosed
WO-2006061675-A1 ANTI-ARTHRITIC HERBAL COMPOSITION AND METHOD OF PRODUCTION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2006-06-15 WO disclosed
JP-S63250378-A INDOLE DERIVATIVE MITSUBISHI KASEI CORP 1988-10-18 JP 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-20250367173-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME ENPP1, ENPP3, SMPD1 CHUK 1840/4885ACHE 259/4885KDM4E 2886/4885
US-11028084-B2 Selective inhibitors of gentotoxic steress-induced IKK/NF-κB pathways IKBKB, NFKBIA, IKBKE CHUK 4/4885ACHE 2568/4885KDM4E 2954/4885
US-20190276452-A1 SELECTIVE INHIBITORS OF GENTOTOXIC STERESS-INDUCED IKK/NF-KB PATHWAYS IKBKB, NFKBIA, IKBKE CHUK 6/4885ACHE 2671/4885KDM4E 2948/4885

“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.