SCHEMBL18993714

SCHEMBL18993714

CCCCNc1cc(C(=O)O)cc(C)c1Oc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.71
▸ USP2 O75604 1/20 0.71
▸ ALDH1A1 P00352 1/20 0.71
▸ CA2 P00918 1/20 0.71
▸ LMNA P02545 1/20 0.71
▸ HPGD P15428 1/20 0.71
▸ TSHR P16473 1/20 0.71
▸ BLM P54132 1/20 0.71
▸ SLC12A2 P55011 1/20 0.71
▸ HIF1A Q16665 1/20 0.71
▸ NPSR1 Q6W5P4 1/20 0.71
▸ HSD17B10 Q99714 1/20 0.71
▸ PTGS2 P35354 10/20 0.52
▸ AQP1 P29972 1/20 0.52
▸ HDAC3 O15379 1/20 0.46
▸ HCAR3 P49019 3/20 0.44
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ ATM Q13315 1/20 0.41

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
SCHEMBL2741867 0.89 KDM4E (0.72) KDM4EUSP2ALDH1A1CA2LMNA
SCHEMBL2741865 0.88 KDM4E (0.71) KDM4EUSP2ALDH1A1CA2LMNA
SCHEMBL2741861 0.87 KDM4E (0.72) KDM4EUSP2ALDH1A1CA2LMNA
SCHEMBL2879559 0.87 KDM4E (0.69) KDM4EUSP2ALDH1A1CA2LMNA
SCHEMBL2741864 0.87 ALDH1A1 (0.69) KDM4EUSP2ALDH1A1CA2LMNA
SCHEMBL2875002 0.87 KDM4E (0.69) KDM4EUSP2ALDH1A1CA2LMNA
SCHEMBL2741873 0.86 CA2 (0.68) KDM4EUSP2ALDH1A1CA2LMNA
SCHEMBL15495571 0.85 KDM4E (0.67) KDM4EUSP2ALDH1A1CA2LMNA
SCHEMBL2741860 0.84 KDM4E (0.82) KDM4EUSP2ALDH1A1CA2LMNA
Bumetanide SCHEMBL27525 0.83 KDM4E (1.00) KDM4EUSP2ALDH1A1CA2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11666547-B2 Methods for treating cognitive deficits in a subject having schizophrenia, bipolar disorder, or psychiatric depression, and exhibiting cognitive deficits by administering an antagonist of the Na+-K+-2Cl-cation-chloride cotransporter isoform 1 (NKCC1) NORTHWESTERN UNIVERSITY (US) 2023-06-06 — — US disclosed
US-20190151263-A1 BUMETANIDE ANALGOS, COMPOSITIONS, AND METHODS OF USE NEUROPRO THERAPEUTICS INC (US) 2019-05-23 — — US disclosed
US-9682928-B2 Bumetanide analogs, compositions and methods of use NEUROPRO THERAPEUTICS, INC. (US) 2017-06-20 — — 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 (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-20190151263-A1 BUMETANIDE ANALGOS, COMPOSITIONS, AND METHODS OF USE SLC6A1, SLC6A11, SLC6A13 KDM4E 2764/4885USP2 3646/4885ALDH1A1 625/4885
US-11666547-B2 Methods for treating cognitive deficits in a subject having schizophrenia, bipolar disorder, or psychiatric depression, and exhibiting cognitive deficits by administering an antagonist of the Na+-K+-2Cl-cation-chloride cotransporter isoform 1 (NKCC1) SLC6A1, SLC6A3, SLC6A13 KDM4E 3950/4885USP2 3946/4885ALDH1A1 811/4885

“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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