SCHEMBL404271

SCHEMBL404271

Cc1nc(C(F)(F)F)ccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
CXCR4 P61073 1/20 0.41
PDE2A O00408 2/20 0.41
PDE10A Q9Y233 2/20 0.41
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.37
NT5E P21589 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
SCHEMBL10220755 0.82 TSHR (0.33) KDM4ELMNA
SCHEMBL4371685 0.77 NT5E (0.39) KDM4EPDE2APDE10ANT5E
SCHEMBL1584056 0.77 NOS3 (0.44) KDM4ECXCR4PDE2APDE10ALMNA
SCHEMBL31018185 0.76 TRPV4 (0.45) KDM4ECXCR4PDE2APDE10ALMNA
SCHEMBL21612748 0.76 TRPV4 (0.45) KDM4ECXCR4PDE2APDE10ALMNA
SCHEMBL21139679 0.76 KDM4E (0.42) KDM4ECXCR4LMNAGAA
Ammonia Solution, Strong SCHEMBL27852366 0.76 NOS3 (0.43) KDM4ECXCR4PDE2APDE10ALMNA
SCHEMBL15832406 0.76 LMNA (0.46) KDM4ECXCR4PDE2APDE10ALMNA
SCHEMBL2634744 0.76 NOTUM (0.42) KDM4EPDE2APDE10ANT5E
SCHEMBL15284060 0.76 NT5E (0.38) KDM4EPDE2APDE10ANT5E

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
CN-111902419-B Novel nucleosides or nucleotide derivatives and use thereof ST制药株式会社 2023-11-24 CN disclosed
WO-2023114200-A2 METHODS FOR THE SYNTHESIS OF COMPLEMENT FACTOR D INHIBITORS AND INTERMEDIATES THEREOF ALEXION PHARMACEUTICALS, INC. (US) 2023-06-22 WO disclosed
WO-2023114198-A2 METHODS FOR THE SYNTHESIS OF COMPLEMENT FACTOR D INHIBITORS ALEXION PHARMACEUTICALS, INC. (US) 2023-06-22 WO disclosed
US-20230022157-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT FACTOR D MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2023-01-26 US disclosed
US-11345714-B2 Compounds targeting proteins, compositions, methods, and uses thereof BIOTHERYX, INC. (US) 2022-05-31 US disclosed
US-20210139500-A1 COMPOUNDS TARGETING PROTEINS, COMPOSITIONS, METHODS, AND USES THEREOF BIOTHERYX, INC. (US) 2021-05-13 US disclosed
US-10870638-B2 Pyridazinone compound or its salt, and herbicide containing it ISHIHARA SANGYO KAISHA, LTD. (JP) 2020-12-22 US disclosed
US-20200172517-A1 PYRIDAZINONE COMPOUND OR ITS SALT, AND HERBICIDE CONTAINING IT ISHIHARA SANGYO KAISHA, LTD. (JP) 2020-06-04 US disclosed
US-10336771-B2 Compounds targeting proteins, compositions, methods, and uses thereof BIOTHERYX, INC. (US) 2019-07-02 US disclosed
US-20180170948-A1 COMPOUNDS TARGETING PROTEINS, COMPOSITIONS, METHODS, AND USES THEREOF Bio TheryX, Inc. 2018-06-21 US disclosed
EP-1957461-B1 BISAMIDE INHIBITORS OF HEDGEHOG SIGNALING GENENTECH INC (US) 2016-11-02 EP disclosed
US-8101610-B2 Blocking signals; anticancer agents GENENTECH, INC. (US) 2012-01-24 US disclosed
US-7528151-B2 Heterocyclic urea derivatives for the treatment of pain GLAXO GROUP LIMITED (GB) 2009-05-05 US disclosed
US-7528151-B2 Heterocyclic urea derivatives for the treatment of pain GLAXO GROUP LIMITED (GB) 2009-05-05 US disclosed
US-20080269215-A1 Bisamide Inhibitors of Hedgehog Signaling GENENTECH INC. (US) 2008-10-30 US disclosed
EP-1957461-A1 BISAMIDE INHIBITORS OF HEDGEHOG SIGNALING Genentech, Inc. (US) 2008-08-20 EP disclosed
WO-2007059157-A1 BISAMIDE INHIBITORS OF HEDGEHOG SIGNALING GENENTECH, INC. (US) 2007-05-24 WO disclosed
US-20070117820-A1 Heterocyclic urea derivatives for the treatment of pain KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-05-24 US disclosed
US-20070117820-A1 Heterocyclic urea derivatives for the treatment of pain KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-05-24 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 (9 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-20070117820-A1 Heterocyclic urea derivatives for the treatment of pain U2SURP, UMPS, SFPQ KDM4E 2326/4885CXCR4 1133/4885PDE2A 263/4885
US-11345714-B2 Compounds targeting proteins, compositions, methods, and uses thereof CKS1B, IKZF3, EPAS1 KDM4E 4006/4885CXCR4 1083/4885PDE2A 3493/4885
US-20210139500-A1 COMPOUNDS TARGETING PROTEINS, COMPOSITIONS, METHODS, AND USES THEREOF CKS1B, IKZF3, CKS2 KDM4E 4043/4885CXCR4 1093/4885PDE2A 3491/4885
US-20180170948-A1 COMPOUNDS TARGETING PROTEINS, COMPOSITIONS, METHODS, AND USES THEREOF CKS1B, IKZF3, EPAS1 KDM4E 4006/4885CXCR4 1083/4885PDE2A 3493/4885
US-10870638-B2 Pyridazinone compound or its salt, and herbicide containing it H1-0, H1-4, H1-3 KDM4E 1092/4885CXCR4 2344/4885PDE2A 2947/4885
US-10336771-B2 Compounds targeting proteins, compositions, methods, and uses thereof CKS1B, IKZF3, EPAS1 KDM4E 4006/4885CXCR4 1083/4885PDE2A 3493/4885
US-20230022157-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT FACTOR D MEDICAL DISORDERS CFD, CFH, TFPI KDM4E 4475/4885CXCR4 2659/4885PDE2A 2788/4885
US-20200172517-A1 PYRIDAZINONE COMPOUND OR ITS SALT, AND HERBICIDE CONTAINING IT H1-0, H1-4, H1-3 KDM4E 1092/4885CXCR4 2344/4885PDE2A 2947/4885
US-20080269215-A1 Bisamide Inhibitors of Hedgehog Signaling SHH, GLI1, SMO KDM4E 710/4885CXCR4 2839/4885PDE2A 2721/4885

“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.