SCHEMBL4549537

SCHEMBL4549537

Cc1ccc(F)c(C)c1F

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.39
HPGD P15428 1/20 0.31
DAO P14920 1/20 0.31
GRIN2B Q13224 5/20 0.31
GRIN1 Q05586 4/20 0.31
RXRA P19793 3/20 0.31
POLB P06746 1/20 0.31
CYP1A2 P05177 1/20 0.30
RAPGEF4 Q8WZA2 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
MRGPRX4 Q96LA9 1/20 0.30

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
SCHEMBL31633781 0.81 ACHE (0.36) ACHEHPGDPOLBCYP1A2HDAC1
SCHEMBL144695 0.81 ACHE (0.36) ACHEHPGDPOLBCYP1A2HDAC1
SCHEMBL172114 0.81 ACHE (0.36) ACHEDAO
SCHEMBL67359 0.79 ACHE (0.41) ACHEHPGDCYP1A2RAPGEF4HDAC1
SCHEMBL31633778 0.79 ACHE (0.41) ACHEDAOPOLBCYP1A2RAPGEF4
SCHEMBL175646 0.79 ACHE (0.41) ACHEHPGDCYP1A2RAPGEF4HDAC1
SCHEMBL3475177 0.79 ACHE (0.41) ACHEDAOPOLBCYP1A2RAPGEF4
SCHEMBL384037 0.77 ACHE (0.42) ACHEDAORAPGEF4
SCHEMBL30064 0.77 ACHE (0.42) ACHEHPGDPOLBCYP1A2HDAC1
SCHEMBL8428973 0.77 ACHE (0.39) ACHEPOLBCYP1A2RAPGEF4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239801-A1 PYRIMIDO[5,4,D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF Université de Montréal (CA) 2024-07-18 US disclosed
EP-4310087-A1 BRIDGED TRICYCLIC CARBAMOYLPYRIDONE COMPOUNDS AND USES THEREOF Gilead Sciences, Inc. (US) 2024-01-24 EP disclosed
US-20230371357-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-11-16 US disclosed
EP-4273147-A1 SUBSTITUTED SPIROLACTAMS, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES Bayer Aktiengesellschaft (DE) 2023-11-08 EP disclosed
EP-4010080-B1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ARTIOS PHARMA LTD (GB) 2023-09-27 EP disclosed
US-20230242503-A9 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ARTIOS PHARMA LIMITED (GB) 2023-08-03 US disclosed
US-20230242503-A9 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ARTIOS PHARMA LIMITED (GB) 2023-08-03 US disclosed
US-20220298134-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ARTIOS PHARMA LIMITED (GB) 2022-09-22 US disclosed
WO-2022087634-A1 CTPS1 INHIBITORS AND USES THEREOF NIMBUS CLOTHO, INC. (US) 2022-04-28 WO disclosed
US-20210371393-A1 BENZOPYRAZOLE COMPOUND USED AS RHO KINASE INHIBITOR MEDSHINE DISCOVERY INC. (CN) 2021-12-02 US disclosed
US-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 US disclosed
US-20080274304-A1 Functionalized Photoreactive Compounds ROLIC AG (CH) 2008-11-06 US disclosed
US-20080125473-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-29 US disclosed
US-20080119536-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-22 US disclosed
EP-1820504-A1 IMINE COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2007-08-22 EP disclosed
US-20070167506-A1 SUBSTITUTED IMIDAZOLES PFIZER INC. (US) 2007-07-19 US disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
WO-2007017752-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS PFIZER LIMITED (GB) 2007-02-15 WO disclosed
WO-2006119504-A2 FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2006-11-09 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 (12 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-20080125473-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 ACHE 230/4885HPGD 2124/4885DAO 856/4885
US-20080312435-A1 Imine Compound CNR1, CNR2, HRH4 ACHE 1050/4885HPGD 1808/4885DAO 3379/4885
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 ACHE 3249/4885HPGD 2279/4885DAO 4682/4885
US-20080274304-A1 Functionalized Photoreactive Compounds PCNA, PIN1, MAP1LC3C ACHE 4372/4885HPGD 1529/4885DAO 2373/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 ACHE 3249/4885HPGD 2279/4885DAO 4682/4885
US-20230242503-A9 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER SDHA, SDHB, NQO1 ACHE 1308/4885HPGD 10/4885DAO 1364/4885
US-20230371357-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE L1CAM, CHRM1, FOXM1 ACHE 574/4885HPGD 3849/4885DAO 2918/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 ACHE 230/4885HPGD 2124/4885DAO 856/4885
US-20220298134-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER SDHA, SDHB, NQO1 ACHE 1308/4885HPGD 10/4885DAO 1364/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 ACHE 230/4885HPGD 2124/4885DAO 856/4885
US-20240239801-A1 PYRIMIDO[5,4,D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF NRAS, BRAF, KRAS ACHE 4868/4885HPGD 824/4885DAO 1884/4885
US-20210371393-A1 BENZOPYRAZOLE COMPOUND USED AS RHO KINASE INHIBITOR ROCK1, ROCK2, CIT ACHE 4001/4885HPGD 949/4885DAO 2274/4885

“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.