SCHEMBL21963712

SCHEMBL21963712

CNCc1oc2cccc(N)c2c1C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
PIK3CA P42336 1/20 0.38
ALOX5 P09917 1/20 0.38
ALDH1A1 P00352 1/20 0.32
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
NMT2 O60551 2/20 0.31
NMT1 P30419 2/20 0.31
PRMT6 Q96LA8 1/20 0.31
MMP2 P08253 1/20 0.31
MMP13 P45452 1/20 0.31
CD44 P16070 1/20 0.31

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
SCHEMBL23532124 0.80 ALOX5 (0.57) ALOX5NPC1MAPTRAB9A
SCHEMBL23532129 0.80 ALOX5 (0.40) ALOX5NMT2NMT1
SCHEMBL23532030 0.80 ALOX5 (0.38) ALOX5NPC1MAPTRAB9ANMT2
SCHEMBL23532058 0.78 NMT2 (0.40) TSHRALOX5NPC1MAPTRAB9A
SCHEMBL1252145 0.74 KCNH2 (0.43) TSHRALDH1A1NPC1MAPTRAB9A
SCHEMBL23532133 0.73 RXFP1 (0.39) TSHRALOX5ALDH1A1NPC1MAPT
SCHEMBL21665556 0.72 CYP3A4 (0.48) CYP3A4TSHRPIK3CAALDH1A1ESR1
Lithium Ion SCHEMBL29799795 0.71 KCNH2 (0.41) NPC1RAB9AMMP13
Lithium Ion SCHEMBL27238876 0.70 KCNH2 (0.40) TSHRALDH1A1NPC1MAPTRAB9A
SCHEMBL6659211 0.68 ESR1 (0.37) CYP3A4TSHRPIK3CAALDH1A1ESR1

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-12545672-B2 Antibiotic compounds, methods of manufacturing the same, pharmaceutical compositions containing the same and uses thereof DEBIOPHARM INTERNATIONAL S.A. (CH) 2026-02-10 US disclosed
EP-3880675-B1 ANTIBIOTIC COMPOUNDS, METHODS OF MANUFACTURING THE SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND USES THEREOF DEBIOPHARM INT SA (CH) 2024-11-06 EP disclosed
CN-113272302-B Antibiotic compound, method for producing same, pharmaceutical composition containing same, and use thereof 德彪药业国际股份公司 2024-08-13 CN disclosed
US-20230035837-A1 ANTIBIOTIC COMPOUNDS, METHODS OF MANUFACTURING THE SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND USES THEREOF DEBIOPHARM INTERNATIONAL S.A. (CH) 2023-02-02 US disclosed
US-20230035837-A1 ANTIBIOTIC COMPOUNDS, METHODS OF MANUFACTURING THE SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND USES THEREOF DEBIOPHARM INTERNATIONAL S.A. (CH) 2023-02-02 US disclosed
EP-3880675-A1 ANTIBIOTIC COMPOUNDS, METHODS OF MANUFACTURING THE SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND USES THEREOF Debiopharm International SA (CH) 2021-09-22 EP disclosed
CN-113272302-A Antibiotic compounds, process for their manufacture, pharmaceutical compositions containing them and their use 德彪药业国际股份公司 2021-08-17 CN disclosed
WO-2020099341-A1 ANTIBIOTIC COMPOUNDS, METHODS OF MANUFACTURING THE SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND USES THEREOF DEBIOPHARM INTERNATIONAL S.A. (CH) 2020-05-22 WO disclosed
WO-2020099341-A1 ANTIBIOTIC COMPOUNDS, METHODS OF MANUFACTURING THE SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND USES THEREOF DEBIOPHARM INTERNATIONAL S.A. (CH) 2020-05-22 WO 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-12545672-B2 Antibiotic compounds, methods of manufacturing the same, pharmaceutical compositions containing the same and uses thereof MRPL21, EMG1, RRS1 CYP3A4 212/4885TSHR 1787/4885PIK3CA 3554/4885
US-20230035837-A1 ANTIBIOTIC COMPOUNDS, METHODS OF MANUFACTURING THE SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND USES THEREOF GMPS, GNE, GANC CYP3A4 366/4885TSHR 4753/4885PIK3CA 1482/4885

“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.