SCHEMBL1161590

SCHEMBL1161590

N#Cc1cccnc1CBr

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
LRRK2 Q5S007 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALDH1A1 P00352 9/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
KDM4E B2RXH2 3/20 0.39
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 4/20 0.37
NPSR1 Q6W5P4 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37

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
SCHEMBL27933237 0.85 HPGD (0.39) HPGDCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL30496171 0.80 HPGD (0.41) HPGDCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL3791629 0.80 HPGD (0.51) HPGDCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL497229 0.80 HPGD (0.41) HPGDCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL10527716 0.80 HPGD (0.41) HPGDCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL25198363 0.80 ALDH1A1 (0.53) HPGDCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL15436874 0.80 HPGD (0.41) HPGDCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL14510730 0.80 HPGD (0.41) HPGDCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL30496159 0.80 ALDH1A1 (0.53) HPGDCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL7213726 0.77 HPGD (0.49) HPGDCYP1A2CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230331673-A1 COMPOSITION OF COMPOUNDS THAT MODULATE CELL METABOLISM AND METHODS OF USE CRESCENTA BIOSCIENCES (US) 2023-10-19 US disclosed
US-20170037028-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-02-09 US disclosed
WO-2016202898-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-12-22 WO disclosed
CN-103848811-B Uracil derivant, its preparation method and application thereof 齐鲁制药有限公司 2016-12-21 CN disclosed
EP-3083598-A1 GLUCOSE TRANSPORT INHIBITORS Bayer Pharma Aktiengesellschaft (DE) 2016-10-26 EP disclosed
WO-2015091428-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-06-25 WO disclosed
WO-2011012622-A1 BENZOXAZINONE DERIVATIVES FOR THE TREATMENT OF GLYTL MEDIATED DISORDERS GLAXO GROUP LIMITED (GB) 2011-02-03 WO disclosed
US-20100311748-A1 HETEROCYCLIC AMIDES USEFUL FOR THE TREATMENT OF CANCER AND PSORIASIS ASTRAZENECA AB (SE) 2010-12-09 US disclosed
EP-2188255-A1 HETEROCYCLIC AMIDES USEFUL FOR THE TREATMENT OF CANCER AND PSORIASIS AstraZeneca AB (SE) 2010-05-26 EP disclosed
WO-2009027746-A1 HETEROCYCLIC AMIDES USEFUL FOR THE TREATMENT OF CANCER AND PSORIASIS ASTRAZENECA AB (SE) 2009-03-05 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-20230331673-A1 COMPOSITION OF COMPOUNDS THAT MODULATE CELL METABOLISM AND METHODS OF USE FABP4, FABP1, FABP3 HPGD 4289/4885CYP1A2 2551/4885CYP2D6 1424/4885
US-20100311748-A1 HETEROCYCLIC AMIDES USEFUL FOR THE TREATMENT OF CANCER AND PSORIASIS SHH, GLI1, HRH4 HPGD 87/4885CYP1A2 1878/4885CYP2D6 3368/4885
US-20170037028-A1 GLUCOSE TRANSPORT INHIBITORS SLC2A1, SLC2A2, SLC2A4 HPGD 842/4885CYP1A2 952/4885CYP2D6 529/4885

“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.