SCHEMBL599310

SCHEMBL599310

Cn1cnc2cc(C(=O)O)ccc21

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.65
FGFR1 P11362 2/20 0.60
HPGD P15428 4/20 0.60
KMT2A Q03164 2/20 0.57
ALDH1A1 P00352 2/20 0.56
MAPT P10636 1/20 0.56
GAA P10253 2/20 0.56
HSD17B10 Q99714 1/20 0.56
NPC1 O15118 2/20 0.56
TP53 P04637 2/20 0.56
RAB9A P51151 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
LMNA P02545 1/20 0.56
NAMPT P43490 1/20 0.54
THRB P10828 1/20 0.54
TSHR P16473 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HDAC1 Q13547 1/20 0.50
HDAC8 Q9BY41 1/20 0.50

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
Hydrochloric Acid SCHEMBL7330424 0.98 HCAR3 (0.63) HCAR3FGFR1HPGDKMT2AALDH1A1
SCHEMBL30937457 0.90 HCAR3 (0.61) HCAR3FGFR1HPGDKMT2AALDH1A1
SCHEMBL16149721 0.87 KMT2A (0.52) HCAR3FGFR1HPGDKMT2AALDH1A1
SCHEMBL16755644 0.87 KMT2A (0.55) HCAR3FGFR1HPGDKMT2AALDH1A1
SCHEMBL1869730 0.86 FGFR1 (0.60) HCAR3FGFR1HPGDKMT2AALDH1A1
SCHEMBL6112848 0.86 ALDH1A1 (0.65) HCAR3FGFR1HPGDKMT2AALDH1A1
SCHEMBL1299105 0.85 FGFR1 (0.60) HCAR3FGFR1HPGDKMT2AALDH1A1
SCHEMBL14061238 0.85 NPC1 (0.57) HCAR3FGFR1HPGDKMT2AALDH1A1
SCHEMBL14150124 0.85 NPC1 (0.57) HCAR3FGFR1HPGDKMT2AALDH1A1
Hydrochloric Acid SCHEMBL6112989 0.83 NPC1 (0.56) HCAR3FGFR1HPGDKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025202864-A1 ENT1 INHIBITORS IN COMBINATION WITH ONCOLYTIC VIRUSES AND THEIR USE IN THE TREATMENT OF CANCER iTeos Belgium SA (BE) 2025-10-02 WO claimed
WO-2025126110-A1 ENT1 INHIBITORS IN COMBINATION WITH BISPECIFIC ANTIBODIES iTeos Belgium SA (BE) 2025-06-19 WO claimed
WO-2025104613-A1 ENT1 INHIBITORS IN COMBINATION WITH CHECKPOINT INHIBITORS iTeos Belgium SA (BE) 2025-05-22 WO claimed
CN-118146163-A Benzimidazole derivative and preparation method thereof 雅安职业技术学院 2024-06-07 CN claimed
CN-116535365-A Macrocyclic diamine derivatives and their combination with adenosine receptor antagonists as ENT inhibitors for the treatment of cancer ITEOS比利时公司 2023-08-04 CN claimed
US-20230203058-A1 MACROCYCLIC DIAMINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS iTeos Belgium SA (BE) 2023-06-29 US claimed
CN-111511731-B Olefin compounds as modulators of the farnesol X receptor 百时美施贵宝公司 2023-05-23 CN claimed
US-20110105491-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-05-05 US claimed
WO-2010004507-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-01-14 WO claimed
WO-2025202864-A1 ENT1 INHIBITORS IN COMBINATION WITH ONCOLYTIC VIRUSES AND THEIR USE IN THE TREATMENT OF CANCER iTeos Belgium SA (BE) 2025-10-02 WO disclosed
WO-2025126110-A1 ENT1 INHIBITORS IN COMBINATION WITH BISPECIFIC ANTIBODIES iTeos Belgium SA (BE) 2025-06-19 WO disclosed
WO-2025104613-A1 ENT1 INHIBITORS IN COMBINATION WITH CHECKPOINT INHIBITORS iTeos Belgium SA (BE) 2025-05-22 WO disclosed
US-20250136592-A1 C-LINKED INHIBITORS OF ENL/AF9 YEATS BRIDGE MEDICINES 2025-05-01 US disclosed
WO-2025076284-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USING THE SAME DELPHIA THERAPEUTICS, INC. (US) 2025-04-10 WO disclosed
WO-2005030704-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2005-04-07 WO disclosed
WO-2005030704-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2005-04-07 WO disclosed
US-20050054710-A1 Indolinones substituted by heterocycles, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-03-10 US disclosed
US-20050009054-A1 Compounds having a fused, bicyclic moiety for binding to the minor groove of dsDNA PHARMACIA CORPORATION 2005-01-13 US disclosed
WO-2004099131-A2 COMPOUNDS HAVING A FUSED, BICYCLIC MOIETY FOR BINDING TO THE MINOR GROOVE OF DSDNA PHARMACIA CORPORATION (US) 2004-11-18 WO disclosed
WO-2004026829-A2 HETEROCYCLICALLY SUBSTITUTED INDOLINONES AND THEIR USE AS RECEPTOR TYROSINE KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-04-01 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-20110105491-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR HCAR3 112/4885FGFR1 202/4885HPGD 2597/4885
US-20230203058-A1 MACROCYCLIC DIAMINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS ENTPD1, SLC29A1, ENTPD5 HCAR3 269/4885FGFR1 374/4885HPGD 1486/4885
US-20050054710-A1 Indolinones substituted by heterocycles, the preparation thereof and their use as medicaments CDK1, CDK2, CDK3 HCAR3 1434/4885FGFR1 147/4885HPGD 1038/4885
US-20050009054-A1 Compounds having a fused, bicyclic moiety for binding to the minor groove of dsDNA PCNA, POLM, PBRM1 HCAR3 1653/4885FGFR1 906/4885HPGD 2228/4885
US-20250136592-A1 C-LINKED INHIBITORS OF ENL/AF9 YEATS MLLT3, MLLT1, YEATS2 HCAR3 2931/4885FGFR1 1521/4885HPGD 4028/4885

“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.