SCHEMBL16166256

SCHEMBL16166256

CC(c1ccc(Cl)cc1)n1nnc(C(=O)O)c1N

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.43
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA9 Q16790 1/20 0.38
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
PTGS2 P35354 1/20 0.37
EGLN1 Q9GZT9 1/20 0.36
KEAP1 Q14145 2/20 0.36
HTT P42858 1/20 0.36
COPS5 Q92905 1/20 0.35
ADRB2 P07550 1/20 0.35
CLK1 P49759 1/20 0.35
DYRK1A Q13627 1/20 0.35
GPR139 Q6DWJ6 2/20 0.34
TSHR P16473 1/20 0.34
BRD4 O60885 1/20 0.34

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
SCHEMBL25064660 0.84 HPGD (0.44) HPGDMAPTHTTCOPS5TSHR
SCHEMBL16166195 0.83 PDE2A (0.42) HPGDGAAPTGDR2GPR139BRD4
SCHEMBL16166314 0.70 HPGD (0.78) HPGDMAPTHTTTSHR
SCHEMBL11483551 0.68 PKM (0.41) HPGDGAAPTGDR2EGLN1TSHR
SCHEMBL14113348 0.68 CA1 (0.52) CA1CA2CA4CA9MAPT
SCHEMBL16166372 0.67 ADRB2 (0.41) GAAHTTADRB2CLK1DYRK1A
SCHEMBL16166877 0.67 ADRB2 (0.41) GAAHTTADRB2CLK1DYRK1A
SCHEMBL16166590 0.67 ADRB2 (0.41) GAAHTTADRB2CLK1DYRK1A
SCHEMBL7273617 0.67 SMN1; SMN2 (0.47) CA1CA2CA4CA9MAPT
SCHEMBL24966901 0.67 ALDH1A1 (0.42) HPGDHTTBRD4

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-20210047329-A1 SUBSTITUTED 4,6-DIHYDROSPIRO[[1,2,3]TRIAZOLO[4,5-B]PYRIDINE-7,3'-INDOLINE]-2',5(3H)-DIONE ANALOGUES THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-02-18 US disclosed
WO-2014167528-A1 SPIROPYRAZOLOPYRIDINE DERIVATIVES AND USES THEREOF FOR THE TREATMENT OF VIRAL INFECTIONS NOVARTIS AG (CH) 2014-10-16 WO disclosed
WO-2014167528-A1 SPIROPYRAZOLOPYRIDINE DERIVATIVES AND USES THEREOF FOR THE TREATMENT OF VIRAL INFECTIONS NOVARTIS AG (CH) 2014-10-16 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 (1 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-20210047329-A1 SUBSTITUTED 4,6-DIHYDROSPIRO[[1,2,3]TRIAZOLO[4,5-B]PYRIDINE-7,3'-INDOLINE]-2',5(3H)-DIONE ANALOGUES DHPS, QDPR, HTR5A HPGD 735/4885CA1 3364/4885CA2 4007/4885

“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.