SCHEMBL2799129

SCHEMBL2799129

O=c1[nH]c2c(c3ccsc13)Cc1c(CNC3CCCC3)cccc1-2

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
ALOX15 P16050 2/20 0.39
NEK1 Q96PY6 2/20 0.36
MPO P05164 2/20 0.35
TPO P07202 2/20 0.35
HTT P42858 3/20 0.34
LMNA P02545 2/20 0.34
KMT2A Q03164 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PARP1 P09874 4/20 0.34
KDM4E B2RXH2 2/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PABPC1 P11940 1/20 0.32
MEN1 O00255 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
SCHEMBL2801077 0.92 ALDH1A1 (0.39) ALDH1A1ALOX15NEK1MPOTPO
SCHEMBL3136154 0.82 ALDH1A1 (0.41) ALDH1A1ALOX15MPOTPOHTT
SCHEMBL13086385 0.81 CCNB2 (0.43) NEK1KDM4E
SCHEMBL2790364 0.80 NEK1 (0.37) NEK1KDM4E
SCHEMBL3054578 0.80 NEK1 (0.41) NEK1PARP1KDM4E
SCHEMBL3060533 0.80 PARP1 (0.43) ALDH1A1ALOX15MPOTPOHTT
SCHEMBL3147409 0.80 HTT (0.44) ALDH1A1ALOX15MPOTPOHTT
SCHEMBL3138956 0.79 PARP1 (0.44) ALDH1A1ALOX15MPOTPOHTT
SCHEMBL3130337 0.79 PARP1 (0.44) ALDH1A1ALOX15MPOTPOHTT
SCHEMBL3142967 0.78 ALDH1A1 (0.41) ALDH1A1ALOX15MPOTPOHTT

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-20100261706-A1 SUBSTITUTED TETRACYCLIC 1H-INDENO [1,2-B]PYRIDINE-2(5H)-ONE ANALOGS THEREOF AND USES THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-10-14 US disclosed
US-20100261706-A1 SUBSTITUTED TETRACYCLIC 1H-INDENO [1,2-B]PYRIDINE-2(5H)-ONE ANALOGS THEREOF AND USES THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-10-14 US disclosed
US-20100261706-A1 SUBSTITUTED TETRACYCLIC 1H-INDENO [1,2-B]PYRIDINE-2(5H)-ONE ANALOGS THEREOF AND USES THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-10-14 US disclosed
WO-2010077663-A2 SUBSTITUTED TETRACYCLIC 1H-INDENO (1,2-B) PYRIDINE-2 (5H)-ONE ANALOGS THEREOF AND USES THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-07-08 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-20100261706-A1 SUBSTITUTED TETRACYCLIC 1H-INDENO [1,2-B]PYRIDINE-2(5H)-ONE ANALOGS THEREOF AND USES THEREOF TNNI3, TNNT2, ALDH1A2 ALDH1A1 46/4885ALOX15 562/4885NEK1 2402/4885

“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.