SCHEMBL1179845

SCHEMBL1179845

C=CCOc1cccnc1CO

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HPGD P15428 2/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
LIG1 P18858 1/20 0.43
SLC22A1 O15245 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
HTR1A P08908 1/20 0.38
CYP2D6 P10635 1/20 0.38
HTR2A P28223 1/20 0.38
SLC6A4 P31645 1/20 0.38
ADRA1A P35348 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2A6 P11509 1/20 0.38
KDM4E B2RXH2 3/20 0.38

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
SCHEMBL15432573 0.83 KDM4E (0.48) ALDH1A1L3MBTL1HPGDTSHRMAPK1
SCHEMBL1178398 0.83 TSHR (0.41) ALDH1A1HPGDTSHRMAPK1HSD17B10
SCHEMBL2645036 0.77 ALDH1A1 (0.52) ALDH1A1L3MBTL1LMNAMEN1NPC1
SCHEMBL3817197 0.77 HPGD (0.45) ALDH1A1HPGDTSHRMAPK1HSD17B10
SCHEMBL506497 0.76 ALDH1A1 (0.55) ALDH1A1L3MBTL1TSHRLMNACYP1A2
SCHEMBL25437164 0.76 L3MBTL1 (0.43) ALDH1A1L3MBTL1LIG1LMNAKDM4E
Hydrochloric Acid SCHEMBL9814568 0.75 TSHR (0.39) ALDH1A1L3MBTL1HPGDTSHRMAPK1
SCHEMBL27279385 0.75 TSHR (0.39) ALDH1A1L3MBTL1HPGDTSHRMAPK1
SCHEMBL1631630 0.75 S1PR4 (0.46) ALDH1A1HPGDTSHRMAPK1HSD17B10
SCHEMBL6628054 0.75 ALDH1A1 (0.50) ALDH1A1L3MBTL1MAPK1HSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1613613-B1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORP (US) 2021-06-02 EP disclosed
US-10829494-B2 Macrocyclic deaza-purinones for the treatment of viral infections Janssen Sciences Ireland Unlimited Company (IE) 2020-11-10 US disclosed
CN-102026974-B Tetrahydrocyclopenta[b]indole androgen receptor modulators LILLY CO ELI 2013-08-28 CN disclosed
US-8486943-B2 Tetrahydrocyclopenta[b]indole androgen receptor modulators ELI LILLY AND COMPANY (US) 2013-07-16 US disclosed
US-8486943-B2 Tetrahydrocyclopenta[b]indole androgen receptor modulators ELI LILLY AND COMPANY (US) 2013-07-16 US disclosed
US-8486943-B2 Tetrahydrocyclopenta[b]indole androgen receptor modulators ELI LILLY AND COMPANY (US) 2013-07-16 US disclosed
EP-2297100-B1 TETRAHYDROCYCLOPENTA[B]INDOLE ANDROGEN RECEPTOR MODULATORS LILLY CO ELI (US) 2012-10-31 EP disclosed
EP-2297100-B1 TETRAHYDROCYCLOPENTA[B]INDOLE ANDROGEN RECEPTOR MODULATORS LILLY CO ELI (US) 2012-10-31 EP disclosed
CN-102026974-A Tetrahydrocyclopenta[b]indole androgen receptor modulators LILLY CO ELI 2011-04-20 CN disclosed
EP-2297100-A1 TETRAHYDROCYCLOPENTAÝB¨INDOLE ANDROGEN RECEPTOR MODULATORS Eli Lilly & Company (US) 2011-03-23 EP disclosed
EP-1613613-A4 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC (CA) 2009-03-25 EP disclosed
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED CORPORATION (CA) 2008-10-16 US disclosed
US-7291631-B2 CXCR4 chemokine receptor binding compounds GENZYME CORPORATION (US) 2007-11-06 US disclosed
EP-1613613-A2 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-01-11 EP disclosed
WO-2004091518-A2 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2004-10-28 WO disclosed
US-20040209921-A1 CXCR4 chemokine receptor binding comounds ANORMED CORPORATION (CA) 2004-10-21 US disclosed
EP-0150984-B1 6-(SUBSTITUTED) METHYLENEPENICILLANIC AND 6-(SUBSTITUTED) HYDROXYMETHYLPENICILLANIC ACIDS AND DERIVATIVES THEREOF PFIZER INC. (US) 1991-09-11 EP disclosed
US-5015473-A Beta-lactamase inhibitors PFIZER INC. (US) 1991-05-14 US disclosed
US-4826833-A ANTIBIOTICS PFIZER INC. (US) 1989-05-02 US disclosed
EP-0150984-A2 6-(Substituted) methylenepenicillanic and 6-(substituted) hydroxymethylpenicillanic acids and derivatives thereof PFIZER INC. (US) 1985-08-07 EP 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-10829494-B2 Macrocyclic deaza-purinones for the treatment of viral infections DHX15, MAVS, DDX18 ALDH1A1 1054/4885L3MBTL1 4776/4885HPGD 1833/4885
US-20040209921-A1 CXCR4 chemokine receptor binding comounds CXCR4, CXCR1, CXCR3 ALDH1A1 357/4885L3MBTL1 2244/4885HPGD 1316/4885
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 ALDH1A1 424/4885L3MBTL1 2510/4885HPGD 1813/4885

“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.