SCHEMBL17897322

SCHEMBL17897322

O=C(NOC1CCCCO1)C1=CCNC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GSTP1 P09211 1/20 0.38
▸ GSTM2 P28161 1/20 0.38
▸ TGFBR1 P36897 1/20 0.37
▸ CCNA2 P20248 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ CCNA1 P78396 1/20 0.35
▸ CDK5 Q00535 1/20 0.35
▸ CDK5R1 Q15078 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ P2RX3 P56373 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA9 Q16790 1/20 0.32

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
SCHEMBL2282073 0.75 GSTP1 (0.43) GSTP1GSTM2TGFBR1CCNA2CDK2
SCHEMBL4082004 0.72 GSTP1 (0.49) GSTP1GSTM2TGFBR1CCNA2CDK2
SCHEMBL1025073 0.72 F2 (0.43) GSTP1GSTM2P2RX3
SCHEMBL1026878 0.72 MELK (0.42) GSTP1GSTM2P2RX3
SCHEMBL9176156 0.71 CCNA2 (0.44) GSTP1GSTM2TGFBR1CCNA2CDK2
SCHEMBL23500769 0.71 MEN1 (0.54) GSTP1GSTM2TGFBR1CCNA2CDK2
SCHEMBL21471527 0.71 GSTP1 (0.51) GSTP1GSTM2TGFBR1CCNA2CDK2
SCHEMBL28409562 0.71 GSTP1 (0.51) GSTP1GSTM2TGFBR1CCNA2CDK2
SCHEMBL30758555 0.70 GSTP1 (0.45) GSTP1GSTM2TGFBR1CCNA2CDK2
SCHEMBL2523198 0.70 TGFBR1 (0.36) GSTP1GSTM2TGFBR1CCNA2CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10266489-B2 Pyrrolic amide compound and preparation method and application thereof HITGEN LTD (CN) 2019-04-23 — — US disclosed
EP-3241823-B1 PYRROLE AMIDE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF HITGEN LTD (CN) 2019-04-17 — — EP disclosed
EP-3241823-A1 PYRROLE AMIDE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF Hitgen Ltd. (CN) 2017-11-08 — — EP disclosed
US-20170298016-A1 PYRROLIC AMIDE COMPOUND AND PREPARATION METHOD AND APPLICATION THEREOF HITGEN INC. (CN) 2017-10-19 — — US disclosed
WO-2016107542-A1 PYRROLE AMIDE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF 成都先导药物开发有限公司 2016-07-07 — — WO disclosed
WO-2016107541-A1 PYRROLE AMIDE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF 成都先导药物开发有限公司 2016-07-07 — — WO disclosed
WO-2016107227-A1 PYRROLE AMIDE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF 成都先导药物开发有限公司 2016-07-07 — — WO disclosed
WO-2016107544-A1 INTERMEDIATE COMPOUND FOR PREPARING PYRROLE AMIDE COMPOUND AND PREPARATION METHOD AND USE THEREOF 成都先导药物开发有限公司 2016-07-07 — — 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 (2 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-20170298016-A1 PYRROLIC AMIDE COMPOUND AND PREPARATION METHOD AND APPLICATION THEREOF HDAC1, HDAC3, HDAC11 GSTP1 4312/4885GSTM2 4489/4885TGFBR1 1402/4885
US-10266489-B2 Pyrrolic amide compound and preparation method and application thereof HDAC1, HDAC3, HDAC11 GSTP1 4312/4885GSTM2 4489/4885TGFBR1 1402/4885

“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.

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