SCHEMBL3060139

SCHEMBL3060139

O=c1[nH]c2c(c3c1CCCC3)Cc1c(CNC3(CO)CCCC3)cccc1-2

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 4/20 0.38
TRPV3 Q8NET8 4/20 0.34
CNR2 P34972 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KIT P10721 1/20 0.32
FLT1 P17948 1/20 0.32
KDR P35968 1/20 0.32
HSD11B1 P28845 2/20 0.31

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
SCHEMBL2790481 0.81 CHEK1 (0.43) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL13086601 0.78 CCNB2 (0.41) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL3060533 0.77 PARP1 (0.43) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL3057285 0.77 PNMT (0.43) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL7897594 0.77 HPGD (0.36) KDM4EALDH1A1HPGDTSHRHSD17B10
Hydrochloric Acid SCHEMBL3059839 0.77 KDR (0.41) KDM4EALDH1A1HPGDHSD17B10KDR
Hydrochloric Acid SCHEMBL3055083 0.76 KDR (0.40) KDM4EALDH1A1HPGDHSD17B10KDR
Hydrochloric Acid SCHEMBL3060187 0.76 KDR (0.40) KDM4EALDH1A1HPGDHSD17B10KDR
SCHEMBL3066815 0.75 KDR (0.42) KDM4EALDH1A1HPGDHSD17B10KDR
SCHEMBL7906040 0.75 HPGD (0.34) KDM4EALDH1A1HPGDTSHRHSD17B10

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 5 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 claimed
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 CD274 904/4885TRPV3 3125/4885CNR2 678/4885

“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.