SCHEMBL3057285

SCHEMBL3057285

NCc1cccc2c1Cc1c-2[nH]c(=O)c2c1CCCC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.43
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALOX15 P16050 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD11B1 P28845 1/20 0.35
PARP1 P09874 2/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
BRD4 O60885 4/20 0.33
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
GSK3B P49841 1/20 0.33
CDK5 Q00535 1/20 0.33

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
SCHEMBL13086601 0.88 CCNB2 (0.41) HPGDKDM4EALDH1A1TSHRHSD17B10
SCHEMBL2790481 0.86 CHEK1 (0.43) HPGDKDM4EALDH1A1TSHRHSD17B10
SCHEMBL7897594 0.86 HPGD (0.36) HPGDKDM4EALDH1A1TSHRHSD17B10
SCHEMBL7906040 0.84 HPGD (0.34) HPGDKDM4EALDH1A1TSHRHSD17B10
SCHEMBL3045256 0.83 PARP1 (0.38) HPGDKDM4EALDH1A1TSHRHSD17B10
SCHEMBL3066815 0.82 KDR (0.42) HPGDKDM4EALDH1A1HSD17B10PARP1
SCHEMBL3060538 0.82 BRD4 (0.43) HPGDKDM4EALDH1A1TSHRHSD17B10
SCHEMBL7897601 0.81 BRD4 (0.36) HPGDKDM4EALDH1A1TSHRHSD17B10
SCHEMBL2780726 0.81 KDR (0.41) HPGDKDM4EALDH1A1HSD17B10PARP1
SCHEMBL3054827 0.81 PARP1 (0.39) HPGDKDM4EALDH1A1TSHRHSD17B10

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 1 patent. 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

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 PNMT 627/4885HPGD 514/4885KDM4E 3177/4885

“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.