SCHEMBL17672383

SCHEMBL17672383

C/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1cc(C(=O)O)[nH]n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ GAA P10253 2/20 0.48
▸ PDE3B Q13370 1/20 0.47
▸ PDE3A Q14432 1/20 0.47
▸ XDH P47989 2/20 0.47
▸ F2 P00734 1/20 0.47
▸ PRSS1 P07477 1/20 0.47
▸ PRSS2 P07478 1/20 0.47
▸ PRSS3 P35030 1/20 0.47
▸ KMT2A Q03164 4/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ POLB P06746 1/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ ALPL P05186 1/20 0.45
▸ NLRP3 Q96P20 1/20 0.45
▸ LMNA P02545 1/20 0.43

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
SCHEMBL19513996 1.00 ALDH1A1 (0.48) ALDH1A1KDM4EGAAPDE3BPDE3A
SCHEMBL17672777 0.85 ACR (0.57) ALDH1A1KDM4EGAAPDE3BPDE3A
SCHEMBL17672776 0.85 ACR (0.57) ALDH1A1KDM4EGAAPDE3BPDE3A
SCHEMBL19539470 0.85 ACR (0.57) ALDH1A1KDM4EGAAPDE3BPDE3A
SCHEMBL25291809 0.77 ALDH1A1 (0.55) ALDH1A1KDM4EGAAPDE3BPDE3A
SCHEMBL25291810 0.77 ALDH1A1 (0.55) ALDH1A1KDM4EGAAPDE3BPDE3A
SCHEMBL22445769 0.75 ALDH1A1 (0.50) ALDH1A1KDM4EGAAPDE3BPDE3A
SCHEMBL17672384 0.74 ALDH1A1 (0.44) ALDH1A1KDM4EF2PRSS1PRSS2
SCHEMBL28374501 0.72 ALDH1A1 (0.71) ALDH1A1KDM4EGAAPDE3BPDE3A
SCHEMBL26006200 0.72 ALDH1A1 (0.71) ALDH1A1KDM4EGAAPDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10022354-B2 Pyrrolidine amide compounds as histone demethylase inhibitors GENENTECH, INC. (US) 2018-07-17 — — US disclosed
US-20170312252-A1 PYRROLIDINE AMIDE COMPOUNDS AS HISTONE DEMETHYLASE INHIBITORS WUXI APPTEC (SHANGHAI) CO. LTD (CN) 2017-11-02 — — US disclosed
EP-3204379-A1 PYRROLIDINE AMIDE COMPOUNDS AS HISTONE DEMETHYLASE INHIBITORS Genentech, Inc. (US) 2017-08-16 — — EP disclosed
WO-2016057924-A1 PYRROLIDINE AMIDE COMPOUNDS AS HISTONE DEMETHYLASE INHIBITORS GENENTECH, INC. (US) 2016-04-14 — — 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-20170312252-A1 PYRROLIDINE AMIDE COMPOUNDS AS HISTONE DEMETHYLASE INHIBITORS KDM5A, KDM5C, KDM5B ALDH1A1 1228/4885KDM4E 14/4885GAA 551/4885
US-10022354-B2 Pyrrolidine amide compounds as histone demethylase inhibitors KDM5A, KDM5C, KDM1B ALDH1A1 1149/4885KDM4E 14/4885GAA 526/4885

“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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