SCHEMBL16753552

SCHEMBL16753552

FC(F)(F)C1(c2ccc(Br)cc2)OCCO1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA5A P35218 1/20 0.33
CA9 Q16790 1/20 0.33
CYP2A6 P11509 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
WDR5 P61964 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
SCHEMBL3987895 0.80 TAAR1 (0.35) CYP2A6TAAR1
SCHEMBL23576634 0.74 TAAR1 (0.31) CYP2A6TAAR1WDR5
SCHEMBL9560864 0.73 TAAR1 (0.36) CA1CA2CA5ACA9CYP2A6
SCHEMBL6437554 0.72 CYP2A6 (0.40) CYP2A6TAAR1
SCHEMBL16102844 0.71 JAK2 (0.33)
SCHEMBL587682 0.68 TAAR1 (0.42) CYP2A6TAAR1
SCHEMBL516639 0.68 WDR5 (0.44) CA1CA2CA5ACA9CYP2A6
Magnesium SCHEMBL9306977 0.67 TAAR1 (0.41) CYP2A6TAAR1
SCHEMBL9367962 0.65 KDM4E (0.37) CYP2A6TAAR1
SCHEMBL3565013 0.65 ALDH1A1 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10717738-B2 Pyrimidinone and its derivatives inhibiting factor XIa ONO PHARMACEUTICAL CO., LTD. (JP) 2020-07-21 US disclosed
EP-3290413-B9 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO PHARMACEUTICAL CO (JP) 2020-04-29 EP disclosed
EP-3290413-B1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO PHARMACEUTICAL CO (JP) 2019-11-13 EP disclosed
EP-3290413-A1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO Pharmaceutical Co., Ltd. (JP) 2018-03-07 EP disclosed
EP-2794597-B1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO PHARMACEUTICAL CO (JP) 2017-11-15 EP disclosed
US-20170305917-A1 COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2017-10-26 US disclosed
US-9732085-B2 Pyridinone and pyrimidinone derivatives as factor Xia ONO PHARMACEUTICAL CO., LTD. (JP) 2017-08-15 US disclosed
CN-104136431-B Pyridone and pyrimidone derivatives as plasma thromboplastin antecedent a inhibitor 小野药品工业株式会社 2017-03-15 CN disclosed
US-20150152112-A1 COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2015-06-04 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-20150152112-A1 COMPOUNDS F11, F12, F10 CA1 465/4885CA2 617/4885CA5A 408/4885
US-20170305917-A1 COMPOUNDS F11, F12, F10 CA1 465/4885CA2 617/4885CA5A 408/4885
US-10717738-B2 Pyrimidinone and its derivatives inhibiting factor XIa F11, TFPI, F10 CA1 3552/4885CA2 2927/4885CA5A 2086/4885

“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.