SCHEMBL7904328

SCHEMBL7904328

C[C@@H]1CN(c2cccc3c2Cc2c-3[nH]c(=O)c3c2CCCC3)C[C@H](C)O1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 3/20 0.34
HSD17B10 Q99714 2/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TNKS O95271 3/20 0.33
TNKS2 Q9H2K2 3/20 0.33
PARP10 Q53GL7 2/20 0.33
PARP2 Q9UGN5 2/20 0.33
PARP1 P09874 2/20 0.33
TP53 P04637 1/20 0.32
CREBBP Q92793 1/20 0.31
L3MBTL1 Q9Y468 1/20 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
SCHEMBL2877897 1.00 ALDH1A1 (0.39) ALDH1A1MAPTKMT2AHSD17B10KDM4E
SCHEMBL3050598 0.76 DRD2 (0.43)
SCHEMBL13086583 0.75 PARP1 (0.43) ALDH1A1HSD17B10KDM4ESMN1; SMN2PARP10
SCHEMBL7906406 0.74 DRD2 (0.45) KDM4EPARP1
SCHEMBL2779370 0.74 DRD2 (0.41) ALDH1A1KMT2AHSD17B10MEN1TNKS
SCHEMBL13086601 0.72 CCNB2 (0.41) ALDH1A1HSD17B10KDM4ESMN1; SMN2PARP1
SCHEMBL3060538 0.72 BRD4 (0.43) ALDH1A1HSD17B10KDM4ESMN1; SMN2PARP1
SCHEMBL3053093 0.72 PARP10 (0.42) ALDH1A1HSD17B10KDM4ESMN1; SMN2TNKS
SCHEMBL13086718 0.71 ALOX15 (0.36) ALDH1A1MAPTHSD17B10KDM4ESMN1; SMN2
SCHEMBL13096346 0.71 CA1 (0.56) TNKSTNKS2PARP10PARP2PARP1

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-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 46/4885MAPT 555/4885KMT2A 4334/4885

“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.