SCHEMBL5378519

SCHEMBL5378519

Cn1nc(C(F)(F)F)c(C=O)c1O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 2/20 0.36
NPC1 O15118 1/20 0.33
PKM P14618 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
POLB P06746 1/20 0.33
CYP2C9 P11712 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
RECQL P46063 1/20 0.32
MAPK8 P45983 1/20 0.31
HTT P42858 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MAPT P10636 1/20 0.31
USP2 O75604 1/20 0.31

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
SCHEMBL764718 0.83 ALDH1A1 (0.36) CYP1A2CYP2D6CYP2C19NPC1PKM
SCHEMBL939579 0.79 CYP1A2 (0.35) CYP1A2CYP2D6CYP2C19NPC1PKM
SCHEMBL757178 0.78 CYP2C19 (0.48) CYP1A2CYP2D6CYP2C19L3MBTL1POLB
SCHEMBL4227505 0.77 POLB (0.33) CYP1A2CYP2D6CYP2C19L3MBTL1POLB
SCHEMBL4227508 0.77 POLB (0.33) CYP1A2CYP2D6CYP2C19L3MBTL1POLB
SCHEMBL14507097 0.75 CYP2C19 (0.38) CYP1A2CYP2D6CYP2C19NPC1PKM
SCHEMBL5393593 0.72 POLB (0.36) CYP1A2CYP2C19NPC1PKML3MBTL1
SCHEMBL13184396 0.72 POLB (0.36) CYP1A2CYP2C19NPC1PKML3MBTL1
SCHEMBL4444015 0.72 ALDH1A1 (0.47) CYP1A2CYP2C19NPC1L3MBTL1CYP2C9
SCHEMBL25101400 0.72 L3MBTL1 (0.35) NPC1PKML3MBTL1POLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3919056-B1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS INC (US) 2024-08-28 EP disclosed
US-20230322704-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. 2023-10-12 US disclosed
US-20230322704-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. 2023-10-12 US disclosed
US-20230322704-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. 2023-10-12 US disclosed
US-11530191-B2 Compounds and uses thereof for the modulation of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. (US) 2022-12-20 US disclosed
EP-3919056-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN Global Blood Therapeutics, Inc. (US) 2021-12-08 EP disclosed
EP-2970308-B1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS INC (US) 2021-07-14 EP disclosed
US-10829470-B2 Compounds and uses thereof for the modulation of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. (US) 2020-11-10 US disclosed
CN-111454200-A Compounds and their use for modulating hemoglobin 全球血液疗法股份有限公司 2020-07-28 CN disclosed
US-20190112287-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. 2019-04-18 US disclosed
EP-1541561-B1 PYRAZOLE DERIVATIVES AND PROCESS FOR THE PRODUCTION THEREOF IHARA CHEMICAL IND CO (JP) 2014-07-23 EP disclosed
CN-1995021-B Pyrazole derivatives production process IHARA CHEMICAL IND CO 2010-09-08 CN disclosed
CN-100548989-C Pyrazole derivatives and process for producing the same IHARA CHEMICAL IND CO KUMIAI C (JP) 2009-10-14 CN disclosed
US-20070249844-A1 Pyrazole derivatives and process for the production thereof IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2007-10-25 US disclosed
US-7256298-B2 Pyrazole derivatives and process for the production thereof IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2007-08-14 US disclosed
CN-1995021-A Pyrazole derivatives production process IHARA CHEMICAL IND CO (JP) 2007-07-11 CN disclosed
CN-1678588-A Pyrazole derivatives and process for producing the same IHARA CHEMICAL IND CO (JP) 2005-10-05 CN disclosed
US-20050215797-A1 Pyrazole derivatives and process for the production thereof KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2005-09-29 US disclosed
EP-1541561-A1 PYRAZOLE DERIVATIVES AND PROCESS FOR THE PRODUCTION THEREOF IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 2005-06-15 EP disclosed
US-5536701-A 3-pyrazolyloxypyridazines, herbicidal compositions and uses thereof MONSANTO COMPANY (US) 1996-07-16 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 (6 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-20230322704-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN HBG2, HBG1, HBB CYP1A2 760/4885CYP2D6 835/4885CYP2C19 493/4885
US-20070249844-A1 Pyrazole derivatives and process for the production thereof CBR3, CYP4Z1, CYP4F3 CYP1A2 29/4885CYP2D6 95/4885CYP2C19 48/4885
US-11530191-B2 Compounds and uses thereof for the modulation of hemoglobin HBG2, HBG1, HBB CYP1A2 760/4885CYP2D6 835/4885CYP2C19 493/4885
US-10829470-B2 Compounds and uses thereof for the modulation of hemoglobin HBG2, HBG1, HBB CYP1A2 760/4885CYP2D6 835/4885CYP2C19 493/4885
US-20190112287-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN HBG2, HBG1, HBB CYP1A2 760/4885CYP2D6 835/4885CYP2C19 493/4885
US-20050215797-A1 Pyrazole derivatives and process for the production thereof CBR3, CYP4Z1, CYP4F3 CYP1A2 29/4885CYP2D6 95/4885CYP2C19 48/4885

“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.