Sugi Predict

Sugi Predict / Compounds / SCHEMBL537824

SCHEMBL537824

SCHEMBL537824

O=[N+]([O-])c1ccc2nccc(Cl)c2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ CCNC P24863 1/20 0.50
▸ CDK8 P49336 1/20 0.50
▸ KMT2A Q03164 5/20 0.48
▸ OPRK1 P41145 1/20 0.48
▸ MEN1 O00255 3/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ NAMPT P43490 1/20 0.46
▸ XDH P47989 1/20 0.46
▸ KDR P35968 1/20 0.46
▸ EGFR P00533 1/20 0.46
▸ TXNRD1 Q16881 1/20 0.45
▸ TXNRD3 Q86VQ6 1/20 0.45
▸ TXNRD2 Q9NNW7 1/20 0.45
▸ APEX1 P27695 1/20 0.44

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
SCHEMBL1885566 0.87 HSD17B10 (0.50) HSD17B10KMT2AMEN1KDM4EALDH1A1
SCHEMBL6202198 0.80 NR4A2 (0.53) PARP1L3MBTL1CCNCCDK8KMT2A
SCHEMBL22492337 0.80 PARP1 (0.53) PARP1L3MBTL1CCNCCDK8KMT2A
SCHEMBL537862 0.80 PARP1 (0.53) PARP1L3MBTL1CCNCCDK8KMT2A
SCHEMBL4642829 0.80 L3MBTL1 (0.54) PARP1L3MBTL1CCNCCDK8KMT2A
SCHEMBL31067263 0.80 PARP1 (0.53) PARP1L3MBTL1CCNCCDK8KMT2A
SCHEMBL30349874 0.80 L3MBTL1 (0.54) PARP1L3MBTL1CCNCCDK8KMT2A
SCHEMBL16289937 0.80 PARP1 (0.53) PARP1L3MBTL1CCNCCDK8KMT2A
SCHEMBL15910663 0.78 ALDH1A1 (0.60) PARP1L3MBTL1CCNCCDK8KMT2A
SCHEMBL30894837 0.77 KMT2A (0.55) PARP1HSD17B10KMT2AOPRK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12281080-B2 Quinoline-based compounds and methods of inhibiting CDK8/19 UNIVERSITY OF SOUTH CAROLINA (US) 2025-04-22 — — US disclosed
US-20250002511-A1 AKT3 MODULATORS Georgiamune Inc. 2025-01-02 — — US disclosed
EP-4426289-A1 AKT3 MODULATORS Georgiamune Inc. (US) 2024-09-11 — — EP disclosed
EP-4426279-A1 AKT3 MODULATORS Georgiamune Inc. (US) 2024-09-11 — — EP disclosed
CN-118574610-A AKT3 modulators 乔治穆内公司 2024-08-30 — — CN disclosed
CN-118524833-A AKT3 modulators 乔治穆内公司 2024-08-20 — — CN disclosed
US-20240228457-A1 AKT3 MODULATORS Georgiamune Inc. 2024-07-11 — — US disclosed
US-20230295114-A1 AKT3 MODULATORS Georgiamune Inc. 2023-09-21 — — US disclosed
US-20230295114-A1 AKT3 MODULATORS Georgiamune Inc. 2023-09-21 — — US disclosed
US-20230219927-A1 AKT3 MODULATORS Georgiamune Inc. 2023-07-13 — — US disclosed
WO-2005079391-A2 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-09-01 — — WO disclosed
US-20040102443-A1 Nitro and amino substituted topoisomerase agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2004-05-27 — — US disclosed
WO-2004014906-A2 NITRO AND AMINO SUBSTITUTED DIBENZONAPHTHYRIDINES AS TOPOISOMERASE AGENTS RUTGERS, THE STATE UNIVERSITY (US) 2004-02-19 — — WO disclosed
EP-1228066-A2 SULFONAMIDE DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2002-08-07 — — EP disclosed
CN-1335850-A Quinoline derivatives SMITHKLINE BEECHMA PLC (GB) 2002-02-13 — — CN disclosed
EP-1140946-A2 QUINOLINE DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2001-10-10 — — EP disclosed
WO-2001032646-A2 SULFONAMIDE DERIVATIVES SMITHKLINE BEECHAM P.L.C. (GB) 2001-05-10 — — WO disclosed
EP-1047691-A1 QUINOLINEPIPERAZINE AND QUINOLINEPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS COMBINED 5-HT1A, 5-HT1B AND 5-HT1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2000-11-02 — — EP disclosed
WO-2000035919-A2 QUINOLINE DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2000-06-22 — — WO disclosed
WO-1999031086-A1 QUINOLINEPIPERAZINE AND QUINOLINEPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS COMBINED 5-HT1A, 5-HT1B AND 5-HT1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1999-06-24 — — 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 (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-20230295114-A1 AKT3 MODULATORS AKT3, AKT2, MTOR PARP1 2841/4885HSD17B10 1262/4885L3MBTL1 2295/4885
US-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA PARP1 2205/4885HSD17B10 1268/4885L3MBTL1 3768/4885
US-20240228457-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA PARP1 2809/4885HSD17B10 1302/4885L3MBTL1 4166/4885
US-20040102443-A1 Nitro and amino substituted topoisomerase agents TOP1, TOP2A, TOP2B PARP1 49/4885HSD17B10 2656/4885L3MBTL1 2625/4885
US-20250002511-A1 AKT3 MODULATORS AKT3, PIK3C2A, PIK3C2B PARP1 4620/4885HSD17B10 900/4885L3MBTL1 495/4885
US-12281080-B2 Quinoline-based compounds and methods of inhibiting CDK8/19 CDK8, CDK9, CDK19 PARP1 566/4885HSD17B10 2285/4885L3MBTL1 2002/4885

“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.