SCHEMBL4179064

SCHEMBL4179064

O=C(NCCc1ccc(F)cc1)C(F)(F)F

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.57
LMNA P02545 1/20 0.55
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
PLAAT3 P53816 1/20 0.53
PLAAT5 Q96KN8 1/20 0.53
PLAAT2 Q9NWW9 1/20 0.53
PLAAT4 Q9UL19 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.51
CNR1 P21554 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49

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
SCHEMBL6433557 0.86 KDM4E (0.61) NPC1RAB9APLAAT3PLAAT5PLAAT2
SCHEMBL5553483 0.84 PLAAT3 (0.58) PLAAT3PLAAT5PLAAT2PLAAT4SMN1; SMN2
SCHEMBL4700346 0.84 ESRRG (0.54) SMN1; SMN2MEN1KMT2AALDH1A1CA12
SCHEMBL17131842 0.84 HPGD (0.55) HPGDLMNANPC1RAB9APLAAT3
SCHEMBL18701732 0.84 HPGD (0.59) HPGDLMNANPC1RAB9APLAAT3
SCHEMBL4702861 0.84 ALDH1A1 (0.47) PLAAT3PLAAT5PLAAT2PLAAT4SMN1; SMN2
SCHEMBL419646 0.84 CNR1 (0.50) PLAAT3PLAAT5PLAAT2PLAAT4SMN1; SMN2
SCHEMBL14141265 0.84 NPC1 (0.59) HPGDNPC1RAB9APLAAT3PLAAT5
SCHEMBL1094537 0.84 CNR1 (0.57) LMNANPC1RAB9APLAAT3PLAAT5
SCHEMBL6275214 0.84 SMN1; SMN2 (0.47) NPC1RAB9APLAAT3PLAAT5PLAAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3150592-B1 ALK KINASE INHIBITOR, AND PREPARATION METHOD AND USE THEREOF SHANGHAI EMERALD WELLCARES PHARMACEUTICAL CO LTD (CN) 2023-08-30 EP disclosed
EP-3150592-B1 ALK KINASE INHIBITOR, AND PREPARATION METHOD AND USE THEREOF SHANGHAI EMERALD WELLCARES PHARMACEUTICAL CO LTD (CN) 2023-08-30 EP disclosed
CN-115594669-A Fused ring derivative and preparation method and medical application thereof 深圳信立泰药业股份有限公司(CN) 2023-01-13 CN disclosed
US-10023593-B2 ALK kinase inhibitor, and preparation method and uses thereof BEIJING PEARL BIOTECHNOLOGY LIMITED LIABILITY COMPANY (CN) 2018-07-17 US disclosed
US-10023593-B2 ALK kinase inhibitor, and preparation method and uses thereof BEIJING PEARL BIOTECHNOLOGY LIMITED LIABILITY COMPANY (CN) 2018-07-17 US disclosed
US-10023593-B2 ALK kinase inhibitor, and preparation method and uses thereof BEIJING PEARL BIOTECHNOLOGY LIMITED LIABILITY COMPANY (CN) 2018-07-17 US disclosed
US-20170247392-A1 ALK KINASE INHIBITOR, AND PREPARATION METHOD AND USES THEREOF SHANGHAI EMERALD WELLCARES PHARMACEUTICAL CO., LTD (CN) 2017-08-31 US disclosed
US-20170247392-A1 ALK KINASE INHIBITOR, AND PREPARATION METHOD AND USES THEREOF SHANGHAI EMERALD WELLCARES PHARMACEUTICAL CO., LTD (CN) 2017-08-31 US disclosed
US-20170247392-A1 ALK KINASE INHIBITOR, AND PREPARATION METHOD AND USES THEREOF SHANGHAI EMERALD WELLCARES PHARMACEUTICAL CO., LTD (CN) 2017-08-31 US disclosed
EP-3150592-A1 ALK KINASE INHIBITOR, AND PREPARATION METHOD AND USE THEREOF Beijing Pearl Biotechnology Limited Liability Company (CN) 2017-04-05 EP disclosed
EP-3150592-A1 ALK KINASE INHIBITOR, AND PREPARATION METHOD AND USE THEREOF Beijing Pearl Biotechnology Limited Liability Company (CN) 2017-04-05 EP disclosed
WO-2015180685-A1 ALK KINASE INHIBITOR, AND PREPARATION METHOD AND USE THEREOF 北京浦润奥生物科技有限责任公司 2015-12-03 WO disclosed
US-20090099231-A1 3-Sulfonylamino-Pyrrolidine-2-One Derivatives as Factor Xa Inhibitors GLAXO GROUP LIMITED (GB) 2009-04-16 US disclosed
US-20090099231-A1 3-Sulfonylamino-Pyrrolidine-2-One Derivatives as Factor Xa Inhibitors GLAXO GROUP LIMITED (GB) 2009-04-16 US disclosed
US-20090099231-A1 3-Sulfonylamino-Pyrrolidine-2-One Derivatives as Factor Xa Inhibitors GLAXO GROUP LIMITED (GB) 2009-04-16 US disclosed
US-6245746-B1 ADMINISTERING AMIDE MICROBIOCIDE ANTIBIOTIC MICROCIDE PHARMACEUTICALS, INC. 2001-06-12 US disclosed
US-6114310-A THERAPY FOR MICROBIAL INFECTIONS MICROCIDE PHARMACEUTICALS, INC. (US) 2000-09-05 US disclosed
WO-1999037667-A1 EFFLUX PUMP INHIBITORS MICROCIDE PHARMACEUTICALS, INC. (US) 1999-07-29 WO disclosed
US-5663297-A OLIGOPEPTIDES HOFFMANN-LA ROCHE INC. (US) 1997-09-02 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-20170247392-A1 ALK KINASE INHIBITOR, AND PREPARATION METHOD AND USES THEREOF ALK, BRAF, ABL1 HPGD 3939/4885LMNA 1070/4885NPC1 1952/4885
US-10023593-B2 ALK kinase inhibitor, and preparation method and uses thereof ALK, BRAF, ABL1 HPGD 3939/4885LMNA 1070/4885NPC1 1952/4885
US-20090099231-A1 3-Sulfonylamino-Pyrrolidine-2-One Derivatives as Factor Xa Inhibitors TFPI, SERPINC1, SERPINE1 HPGD 862/4885LMNA 508/4885NPC1 3400/4885

“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.