Sugi Predict

Sugi Predict / Compounds / SCHEMBL2724876

SCHEMBL2724876

SCHEMBL2724876

O=C(O)c1[nH]c2ccccc2c1I

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.61
▸ ALDH1A1 P00352 5/20 0.61
▸ HPGD P15428 4/20 0.61
▸ MEN1 O00255 6/20 0.56
▸ KMT2A Q03164 6/20 0.56
▸ POLB P06746 1/20 0.56
▸ FOLH1 Q04609 1/20 0.54
▸ GAA P10253 3/20 0.49
▸ HSD17B10 Q99714 3/20 0.49
▸ MAPT P10636 1/20 0.49
▸ GFER P55789 1/20 0.49
▸ MAP2 P11137 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ MCL1 Q07820 1/20 0.48
▸ GRIN2D O15399 1/20 0.47
▸ GRIN3B O60391 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ GLA P06280 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47

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
SCHEMBL31245675 1.00 KDM4E (0.61) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL3338049 0.79 MEN1 (0.58) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL62193 0.78 KDM4E (0.62) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL29897041 0.78 ALDH1A1 (0.63) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL87871 0.78 KDM4E (0.65) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL2399274 0.78 ALDH1A1 (0.63) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL30366683 0.78 KDM4E (0.62) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL6001833 0.78 GPR17 (0.50) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL6651145 0.77 KDM4E (0.61) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL2868492 0.77 KDM4E (0.61) KDM4EALDH1A1HPGDMEN1KMT2A

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119613320-A Synthesis method of compound 3-iodo-1H-indole-2-carboxylic acid 上海毕臣生化科技有限公司 2025-03-14 — — CN claimed
CN-104003995-A Pyrone-[3, 4-b] indole derivative and synthetic method thereof UNIV SHANGHAI JIAOTONG 2014-08-27 — — CN claimed
CN-119613320-A Synthesis method of compound 3-iodo-1H-indole-2-carboxylic acid 上海毕臣生化科技有限公司 2025-03-14 — — CN disclosed
CN-119613320-A Synthesis method of compound 3-iodo-1H-indole-2-carboxylic acid 上海毕臣生化科技有限公司 2025-03-14 — — CN disclosed
CN-109400617-A A kind of new indole and pyranone framework compound and preparation method thereof 湖北大学 2019-03-01 — — CN disclosed
CN-104003995-B Pyranone also [3,4-b] indole derivatives and synthetic method thereof 上海交通大学 2016-10-26 — — CN disclosed
CN-104003995-A Pyrone-[3, 4-b] indole derivative and synthetic method thereof UNIV SHANGHAI JIAOTONG 2014-08-27 — — CN disclosed
WO-2012059568-A1 NOVEL WATER-SOLUBLE INDOLOBENZAZEPINE MOLECULES DEMONSTRATING ANTIMITOTIC, ANTIVASCULAR, AND ANTITUMOR ACTIVITIES IN VIVO CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2012-05-10 — — WO disclosed
US-7396940-B2 Combinatorial library of 3-aryl-1H-indole-2-carboxylic acid HOFFMANN-LA ROCHE INC. (US) 2008-07-08 — — US disclosed
US-7396940-B2 Combinatorial library of 3-aryl-1H-indole-2-carboxylic acid HOFFMANN-LA ROCHE INC. (US) 2008-07-08 — — US disclosed
US-7396940-B2 Combinatorial library of 3-aryl-1H-indole-2-carboxylic acid HOFFMANN-LA ROCHE INC. (US) 2008-07-08 — — US disclosed
US-20050165021-A1 Polycyclic aryl and heteroaryl substituted 4-pyrones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION (US) 2005-07-28 — — US disclosed
WO-2005040111-A2 COMBINATORIAL LIBRARY OF 3-ARYL-1H-INDOLE-2-CARBOXYLIC ACIDS F. HOFFMANN-LA ROCHE AG (DE) 2005-05-06 — — WO disclosed
WO-2005040073-A2 SOLID PHASE SYNTHESIS OF 3-ARYL-2- INDOLYLCARBOXYLIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2005-05-06 — — WO disclosed
US-20050089935-A1 Combinatorial library of 3-aryl-1h-indole-2-carboxylic acid CAI JIANPING (US) 2005-04-28 — — US disclosed
US-20050089936-A1 Combinatorial library of 3-aryl-1H-indole-2-carboxylic acid amides CAI JIANPING (US) 2005-04-28 — — US disclosed
US-5852046-A Benzo-fused heterocyclic compounds having a 5-membered ring processes for their preparation their use as medicaments their use as diagnostic agents and medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1998-12-22 — — US disclosed
CN-1118347-A Benzotoudened 5-ringneterocycl, preparation and phamaceutical and diagnostic use of same HOECHST AG (DE) 1996-03-13 — — CN 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-20050165021-A1 Polycyclic aryl and heteroaryl substituted 4-pyrones useful for selective inhibition of the coagulation cascade TFPI, PLAT, F2 KDM4E 1107/4885ALDH1A1 3342/4885HPGD 933/4885
US-20050089935-A1 Combinatorial library of 3-aryl-1h-indole-2-carboxylic acid AADAC, KYNU, DDC KDM4E 3666/4885ALDH1A1 253/4885HPGD 1691/4885
US-20050089936-A1 Combinatorial library of 3-aryl-1H-indole-2-carboxylic acid amides AADAC, KYNU, AANAT KDM4E 2933/4885ALDH1A1 104/4885HPGD 1752/4885

“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.