SCHEMBL19283154

SCHEMBL19283154

CCCCNCCCC.CNS(=O)(=O)c1cc(C(=O)O)ccc1Oc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
USP2 O75604 1/20 0.51
ALDH1A1 P00352 1/20 0.51
CA2 P00918 1/20 0.51
LMNA P02545 1/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
BLM P54132 1/20 0.51
SLC12A2 P55011 1/20 0.51
HIF1A Q16665 1/20 0.51
HSD17B10 Q99714 1/20 0.51
TTR P02766 2/20 0.46
MAPT P10636 2/20 0.45
HDAC3 O15379 1/20 0.45
POLB P06746 1/20 0.43
PKM P14618 1/20 0.43
TBXA2R P21731 4/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA12 O43570 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
SCHEMBL229434 0.88 KDM4E (0.62) KDM4ENPSR1USP2ALDH1A1CA2
SCHEMBL230507 0.80 KDM4E (0.55) KDM4ENPSR1USP2ALDH1A1CA2
SCHEMBL2741852 0.77 KDM4E (0.79) KDM4ENPSR1USP2ALDH1A1CA2
SCHEMBL22499561 0.77 HDAC3 (0.66) KDM4ENPSR1USP2ALDH1A1CA2
SCHEMBL31154526 0.76 KDM4E (0.64) KDM4ENPSR1USP2ALDH1A1CA2
SCHEMBL18993644 0.76 KDM4E (0.64) KDM4ENPSR1USP2ALDH1A1CA2
SCHEMBL7995261 0.74 TTR (0.61) NPSR1ALDH1A1CA2TTRPOLB
SCHEMBL22499533 0.74 HCAR3 (0.56) KDM4ENPSR1USP2ALDH1A1CA2
SCHEMBL21814405 0.73 CA2 (0.55) KDM4ENPSR1USP2ALDH1A1CA2
SCHEMBL3973973 0.73 NPSR1 (0.74) KDM4ENPSR1USP2ALDH1A1CA2

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-20240009153-A1 BUMETANIDE ANALOGS, COMPOSITIONS AND METHODS OF USE NEUROPRO THERAPEUTICS, INC. 2024-01-11 US disclosed
US-20190151263-A1 BUMETANIDE ANALGOS, COMPOSITIONS, AND METHODS OF USE NEUROPRO THERAPEUTICS INC (US) 2019-05-23 US disclosed
US-20170246131-A1 BUMETANIDE ANALOGS, COMPOSITIONS, AND METHODS OF USE NEUROPRO THERAPEUTICS INC (US) 2017-08-31 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-20240009153-A1 BUMETANIDE ANALOGS, COMPOSITIONS AND METHODS OF USE SLC6A1, SLC6A13, SLC6A11 KDM4E 2426/4885NPSR1 148/4885USP2 3587/4885
US-20170246131-A1 BUMETANIDE ANALOGS, COMPOSITIONS, AND METHODS OF USE SLC6A1, SLC6A13, SLC6A11 KDM4E 2228/4885NPSR1 184/4885USP2 3353/4885
US-20190151263-A1 BUMETANIDE ANALGOS, COMPOSITIONS, AND METHODS OF USE SLC6A1, SLC6A11, SLC6A13 KDM4E 2764/4885NPSR1 290/4885USP2 3646/4885

“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.