SCHEMBL3052767

SCHEMBL3052767

c1ccccncccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 1.00
▸ NAPRT Q6XQN6 2/20 1.00
▸ TDP1 Q9NUW8 1/20 1.00
▸ NOTUM Q6P988 1/20 0.41
▸ SLC6A2 P23975 2/20 0.35
▸ SLC6A4 P31645 2/20 0.35
▸ SLC6A3 Q01959 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2A6 P11509 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ APP P05067 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ HCAR3 P49019 1/20 0.30
▸ HCAR2 Q8TDS4 1/20 0.30

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
SCHEMBL29490150 1.00 TSHR (1.00) TSHRNAPRTTDP1NOTUMSLC6A2
SCHEMBL34466311 1.00 TSHR (1.00) TSHRNAPRTTDP1NOTUMSLC6A2
Pyridine SCHEMBL1654468 1.00 — —
Benzene SCHEMBL10751789 1.00 TSHR (1.00) TSHRNAPRTTDP1NOTUMSLC6A2
Pyridine SCHEMBL9037865 1.00 TSHR (1.00) TSHRNAPRTTDP1NOTUMSLC6A2
Pyridine SCHEMBL180431 1.00 TSHR (1.00) TSHRNAPRTTDP1NOTUMSLC6A2
Benzene SCHEMBL1261317 1.00 TSHR (1.00) TSHRNAPRTTDP1NOTUMSLC6A2
Pyridine SCHEMBL933604 1.00 TSHR (1.00) TSHRNAPRTTDP1NOTUMSLC6A2
Pyridine SCHEMBL16 1.00 — —
Pyridine SCHEMBL30107114 1.00 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025076059-A1 ROCAGLATE DERIVATIVES AND USES THEREOF TRUSTEES OF BOSTON UNIVERSITY (US) 2025-04-10 — — WO claimed
EP-3445748-B1 METHODS OF MANUFACTURE OF 2-ARYL-3,3-BIS(4-HYDROXYARYL) PHTHALIMIDINES AND POLYMERS DERIVED THEREFROM SHPP GLOBAL TECH BV (NL) 2022-06-15 — — EP claimed
WO-2026090241-A1 NON-TRIAZINE BASED SCAVENGERS CHAMPIONX LLC (US) 2026-04-30 — — WO disclosed
US-20260115648-A1 Non-Triazine Based Scavengers CHAMPIONX LLC (US) 2026-04-30 — — US disclosed
US-12612395-B2 Rocaglate derivatives and uses thereof TRUSTEES OF BOSTON UNIVERSITY (US) 2026-04-28 — — US disclosed
US-20260038835-A1 CONDUCTIVE COATINGS AND METHODS OF MAKING THE SAME DONALDSON CO INC (US) 2026-02-05 — — US disclosed
US-12372492-B2 Advanced cancer detection in urine POSTREL RICHARD (US) 2025-07-29 — — US disclosed
US-20250224340-A1 Colorimetric Detection of Organic Amines Using Metal-Organic Frameworks THE JOHNS HOPKINS UNIVERSITY 2025-07-10 — — US disclosed
US-20250115593-A1 ROCAGLATE DERIVATIVES AND USES THEREOF TRUSTEES OF BOSTON UNIVERSITY (US) 2025-04-10 — — US disclosed
WO-2025076059-A1 ROCAGLATE DERIVATIVES AND USES THEREOF TRUSTEES OF BOSTON UNIVERSITY (US) 2025-04-10 — — WO disclosed
US-20240361270-A1 Merging Volatile and Non-Volatile Analytics for Comprehensive State of Health POSTREL RICHARD (US) 2024-10-31 — — US disclosed
WO-2021119159-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-06-17 — — WO disclosed
WO-2017019832-A1 METHODS AND COMPOSITIONS USING REPAIR CELLS AND CATIONIC DYES MEDIVATION TECHNOLOGIES, INC. (US) 2017-02-02 — — WO disclosed
US-8399447-B2 Metal triangulo compound and methods of using the same NATIONAL UNIVERSITY OF SINGAPORE (SG) 2013-03-19 — — US disclosed
US-8329263-B2 Method of coating a particle AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2012-12-11 — — US disclosed
US-20100276310-A1 METHOD OF COATING A PARTICLE AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-11-04 — — US disclosed
US-20100209431-A1 METAL TRIANGULO COMPOUND AND METHODS OF USING THE SAME NATIONAL UNIVERSITY OF SINGAPORE 2010-08-19 — — US disclosed
EP-2147005-A1 METAL TRIANGULO COMPOUND AND METHODS OF USING THE SAME National University of Singapore (SG) 2010-01-27 — — EP disclosed
WO-2009029053-A1 METHOD OF COATING A PARTICLE AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2009-03-05 — — WO disclosed
WO-2008127197-A1 METAL TRIANGULO COMPOUND AND METHODS OF USING THE SAME NATIONAL UNIVERSITY OF SINGAPORE (SG) 2008-10-23 — — 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 (5 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-20100209431-A1 METAL TRIANGULO COMPOUND AND METHODS OF USING THE SAME CASP3, BAX, CASP7 TSHR 4134/4885NAPRT 2319/4885TDP1 3210/4885
US-12612395-B2 Rocaglate derivatives and uses thereof GLRB, SRR, HCAR3 TSHR 109/4885NAPRT 340/4885TDP1 4489/4885
US-20250115593-A1 ROCAGLATE DERIVATIVES AND USES THEREOF ACSL3, ADSL, ACSL6 TSHR 3603/4885NAPRT 1067/4885TDP1 4531/4885
US-20260038835-A1 CONDUCTIVE COATINGS AND METHODS OF MAKING THE SAME SLC8A1, CNTN1, SLC8B1 TSHR 4041/4885NAPRT 2882/4885TDP1 1468/4885
US-20260115648-A1 Non-Triazine Based Scavengers CBS, TST, GSS TSHR 1411/4885NAPRT 4184/4885TDP1 3183/4885

“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.

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