SCHEMBL12438634

SCHEMBL12438634

Cc1nc2ccc3c(c2[nH]1)CCN3

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.40
GRIA1 P42261 1/20 0.36
GRIA2 P42262 1/20 0.36
GRIA3 P42263 1/20 0.36
GRIA4 P48058 1/20 0.36
ALDH1A1 P00352 1/20 0.34
ABL1 P00519 1/20 0.32
PDGFRA P16234 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
HSP90AA1 P07900 1/20 0.31
ESR2 Q92731 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PARP1 P09874 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
CDC7 O00311 1/20 0.31
DBF4 Q9UBU7 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
HSD17B10 Q99714 2/20 0.30
TYMS P04818 1/20 0.30

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
SCHEMBL12438624 0.73 NOTUM (0.40) NOTUMGRIA1GRIA2GRIA3GRIA4
SCHEMBL14648534 0.73 ALDH1A1 (0.34) ALDH1A1HSP90AA1ESR2TDP1PARP1
SCHEMBL12440355 0.71 ALDH1A1 (0.35) ALDH1A1HSP90AA1ESR2TDP1PARP1
SCHEMBL14648530 0.71 HAVCR2 (0.39) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL12438628 0.69 MTNR1A (0.40) ALDH1A1HSP90AA1ESR2TDP1
SCHEMBL12440349 0.69 KDM4E (0.37) ALDH1A1HSP90AA1ESR2TDP1PARP1
SCHEMBL19776037 0.67 ACHE (0.36) ALDH1A1ACHE
SCHEMBL12440354 0.67 PARP1 (0.34) ALDH1A1HSP90AA1ESR2TDP1PARP1
SCHEMBL12438646 0.67 KDM4E (0.37) ALDH1A1HSP90AA1ESR2TDP1PARP1
SCHEMBL13383924 0.66 TYMS (0.44) ALDH1A1HSP90AA1ESR2TDP1PARP1

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-20160176892-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL COMPOSITIONS AND USES SIHUAN PHARMACEUTICAL HOLDINGS GROUP LTD. (CN) 2016-06-23 US disclosed
US-9315513-B2 Benzimidazole derivatives and their pharmaceutical compositions and uses Xuanzhu Pharma Co., Ltd. (CN) 2016-04-19 US disclosed
EP-2532665-A1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF Xuanzhu Pharma Co., Ltd. (CN) 2012-12-12 EP disclosed
WO-2011095057-A1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF 山东轩竹医药科技有限公司 (CN) 2011-08-11 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-20160176892-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL COMPOSITIONS AND USES F12, HRH2, H1-3 NOTUM 3459/4885GRIA1 3005/4885GRIA2 3676/4885

“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.