SCHEMBL5330405

SCHEMBL5330405

O=C(O)CCc1nc(-c2ccccc2)no1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.83
TSHR P16473 1/20 0.76
LMNA P02545 1/20 0.70
ATM Q13315 1/20 0.70
MITF O75030 1/20 0.67
TP53 P04637 1/20 0.67
NCOA3 Q9Y6Q9 1/20 0.67
FFAR1 O14842 1/20 0.66
CYP1A2 P05177 2/20 0.65
CYP2C19 P33261 2/20 0.65
CYP2D6 P10635 1/20 0.65
CYP2C9 P11712 1/20 0.65
NPC1 O15118 1/20 0.64
RAB9A P51151 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
GAA P10253 1/20 0.64
MCL1 Q07820 1/20 0.63
NOTUM Q6P988 1/20 0.63
HDAC1 Q13547 2/20 0.63
HDAC2 Q92769 2/20 0.63

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
SCHEMBL562989 0.91 ALDH1A1 (1.00) ALDH1A1TSHRLMNAATMTP53
SCHEMBL5331479 0.88 ALDH1A1 (0.69) ALDH1A1TSHRLMNAATMCYP1A2
SCHEMBL6325165 0.88 TSHR (0.76) ALDH1A1TSHRLMNAATMMITF
SCHEMBL11983369 0.88 ALDH1A1 (0.69) ALDH1A1TSHRLMNAATMMITF
SCHEMBL4036650 0.88 TSHR (0.72) ALDH1A1TSHRLMNAATMMITF
SCHEMBL7977108 0.88 ALDH1A1 (0.69) ALDH1A1TSHRLMNAATMTP53
SCHEMBL7977105 0.88 ALDH1A1 (0.69) ALDH1A1TSHRLMNAATMCYP1A2
SCHEMBL6332416 0.86 TSHR (0.74) ALDH1A1TSHRLMNAATMMITF
SCHEMBL6328232 0.86 TSHR (0.74) ALDH1A1TSHRLMNAATMMITF
SCHEMBL5717662 0.86 TSHR (1.00) ALDH1A1TSHRLMNAATMMITF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11478457-B2 Castration-resistant prostate cancer NUTECH VENTURES (US) 2022-10-25 US disclosed
WO-2016172545-A1 CASTRATION-RESISTANT PROSTATE CANCER NUTECH VENTURES (US) 2016-10-27 WO disclosed
US-20160310528-A1 Castration-Resistant Prostate Cancer NUTECH VENTURES 2016-10-27 US disclosed
US-20160310528-A1 Castration-Resistant Prostate Cancer NUTECH VENTURES 2016-10-27 US disclosed
US-20160310528-A1 Castration-Resistant Prostate Cancer NUTECH VENTURES 2016-10-27 US disclosed
WO-2007015744-A1 DISUBSTITUTED THIENYL COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2007-02-08 WO disclosed
WO-2007015744-A1 DISUBSTITUTED THIENYL COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2007-02-08 WO disclosed
EP-1670749-A1 2-SUBSTITUTED BENZOIC ACID DERIVATIVES AS HM74A RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2006-06-21 EP disclosed
EP-1423120-A4 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF ICOS CORP (US) 2005-12-28 EP disclosed
US-6924284-B2 PARP inhibitors ICOS CORPORATION (US) 2005-08-02 US disclosed
WO-2005016870-A1 2-SUBSTITUTED BENZOIC ACID DERIVATIVES AS HM74A RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2005-02-24 WO disclosed
CN-1568187-A 2H-2,3-dinitrogen phenodiazine-1-ketone and using method thereof ICOS CORP (US) 2005-01-19 CN disclosed
EP-1423120-A1 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF ICOS CORPORATION (US) 2004-06-02 EP disclosed
US-20040087588-A1 Parp inhibitors ICOS CORPORATION 2004-05-06 US disclosed
WO-2003015785-A1 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF ICOS CORPORATION (US) 2003-02-27 WO disclosed
US-5760233-A CHEMICAL INTERMEDIATES FOR MAKING ERYTHROMYCINS ANTIBIOTICS ROUSSEL UCLAF (FR) 1998-06-02 US disclosed
US-5656607-A Erythromycin derivatives ROUSSEL UCLAF (FR) 1997-08-12 US 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-20040087588-A1 Parp inhibitors PARP1, PARP2, PARP11 ALDH1A1 338/4885TSHR 4656/4885LMNA 448/4885
US-20160310528-A1 Castration-Resistant Prostate Cancer UGDH, G6PD, DPYD ALDH1A1 54/4885TSHR 4569/4885LMNA 4565/4885
US-11478457-B2 Castration-resistant prostate cancer UGDH, G6PD, DPYD ALDH1A1 54/4885TSHR 4569/4885LMNA 4565/4885

“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.