SCHEMBL1345680

SCHEMBL1345680

CCOC(=O)c1[nH]c2ccc(Br)cc2c1CCCC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.55
CYP1A2 P05177 2/20 0.55
CYP2C19 P33261 2/20 0.55
HIF1A Q16665 2/20 0.55
PRNP P04156 1/20 0.55
CYP2C9 P11712 1/20 0.55
PPARG P37231 1/20 0.55
RXFP1 Q9HBX9 1/20 0.55
NR2E3 Q9Y5X4 1/20 0.55
NCOR2 Q9Y618 1/20 0.55
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
HTR6 P50406 2/20 0.51
ALDH1A1 P00352 7/20 0.51
MAPT P10636 3/20 0.51
NQO2 P16083 1/20 0.51
LMNA P02545 2/20 0.50
HPGD P15428 2/20 0.50
XBP1 P17861 1/20 0.50
GPR17 Q13304 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
SCHEMBL1345542 0.91 NPSR1 (0.52) NPSR1CYP1A2CYP2C19HIF1APRNP
SCHEMBL2204926 0.88 NPSR1 (0.54) NPSR1CYP1A2CYP2C19HIF1APRNP
SCHEMBL2205501 0.87 HIF1A (0.53) NPSR1CYP1A2CYP2C19HIF1APRNP
SCHEMBL2207627 0.87 NPSR1 (0.53) NPSR1CYP1A2CYP2C19HIF1APRNP
SCHEMBL6953058 0.86 DRD2 (0.58) NPSR1CYP1A2CYP2C19MEN1KMT2A
SCHEMBL1346088 0.85 KMT2A (0.51) NPSR1CYP1A2CYP2C19HIF1APRNP
SCHEMBL3001929 0.85 HIF1A (0.71) NPSR1CYP1A2CYP2C19HIF1APRNP
Hydrochloric Acid SCHEMBL11080678 0.85 HTR6 (0.68) NPSR1CYP1A2CYP2C19HIF1APRNP
SCHEMBL12131733 0.84 HTR6 (0.52) NPSR1CYP1A2CYP2C19MEN1KMT2A
SCHEMBL9094606 0.83 HTR6 (0.73) NPSR1CYP1A2CYP2C19MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230149399-A1 TREATMENT OF CANCER, INFLAMMATORY DISEASES AND AUTOIMMUNE DISEASES USHER III INITIATIVE, INC. 2023-05-18 US disclosed
US-20230149399-A1 TREATMENT OF CANCER, INFLAMMATORY DISEASES AND AUTOIMMUNE DISEASES USHER III INITIATIVE, INC. 2023-05-18 US disclosed
EP-3307742-B1 METHODS OF TREATING OR PREVENTING A PROTEOPATHY USHER III INITIATIVE INC (US) 2022-05-18 EP disclosed
WO-2022011091-A1 TREATMENT OF CANCER, INFLAMMATORY DISEASES AND AUTOIMMUNE DISEASES USHER III INITIATIVE, INC. (US) 2022-01-13 WO disclosed
US-20180099974-A1 METHODS OF TREATING OR PREVENTING A PROTEOPATHY USHER III INITIATIVE, INC. 2018-04-12 US disclosed
US-20180099974-A1 METHODS OF TREATING OR PREVENTING A PROTEOPATHY USHER III INITIATIVE, INC. 2018-04-12 US disclosed
WO-2016201266-A1 METHODS OF TREATING OR PREVENTING A PROTEOPATHY USHER III INITIATIVE, INC. (US) 2016-12-15 WO disclosed
US-8063094-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-22 US disclosed
US-8063094-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-22 US disclosed
US-8063094-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-22 US disclosed
US-20110053955-A1 ANTI-CYTOKINE HETEROCYCLIC COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-03 US disclosed
US-20110053955-A1 ANTI-CYTOKINE HETEROCYCLIC COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-03 US disclosed
US-20110053955-A1 ANTI-CYTOKINE HETEROCYCLIC COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-03 US disclosed
WO-2008098096-A1 ANTI-CYTOKINE HETEROCYCLIC COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-14 WO disclosed
WO-2008098096-A1 ANTI-CYTOKINE HETEROCYCLIC COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-14 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 (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-20180099974-A1 METHODS OF TREATING OR PREVENTING A PROTEOPATHY PSMG3, HSPA5, TTR NPSR1 3700/4885CYP1A2 4828/4885CYP2C19 4877/4885
US-20110053955-A1 ANTI-CYTOKINE HETEROCYCLIC COMPOUNDS MAPKAPK2, IL2, MAP3K2 NPSR1 3985/4885CYP1A2 1780/4885CYP2C19 3671/4885
US-20230149399-A1 TREATMENT OF CANCER, INFLAMMATORY DISEASES AND AUTOIMMUNE DISEASES TNF, HLA-DRB1, GSTK1 NPSR1 3046/4885CYP1A2 2595/4885CYP2C19 3976/4885

“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.