SCHEMBL14648530

SCHEMBL14648530

Cc1nc2ccc3c(c2[nH]1)CCC3

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAVCR2 Q8TDQ0 1/20 0.39
KIF11 P52732 1/20 0.38
ALDH1A1 P00352 1/20 0.35
GRIA1 P42261 1/20 0.35
GRIA2 P42262 1/20 0.35
GRIA3 P42263 1/20 0.35
GRIA4 P48058 1/20 0.35
DRD4 P21917 1/20 0.34
HCAR1 Q9BXC0 2/20 0.34
MAPT P10636 2/20 0.34
NPC1 O15118 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PARP1 P09874 3/20 0.33
BCHE P06276 2/20 0.33
ACHE P22303 2/20 0.33
GRIN1 Q05586 2/20 0.33
GRIN2A Q12879 2/20 0.33
STAT3 P40763 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
SCHEMBL12438646 0.78 KDM4E (0.37) ALDH1A1MAPTPARP1HSP90AA1ESR2
SCHEMBL12438626 0.76 ADORA3 (0.35) ALDH1A1MAPTPARP1HSP90AA1ESR2
SCHEMBL12440354 0.75 PARP1 (0.34) ALDH1A1MAPTPARP1HSP90AA1ESR2
SCHEMBL13383928 0.74 ALDH1A1 (0.48) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL14648539 0.74 DAO (0.35) ALDH1A1ACHETDP1
SCHEMBL19776037 0.74 ACHE (0.36) ALDH1A1SMN1; SMN2ACHE
SCHEMBL14648508 0.72 ADRB2 (0.39) HAVCR2KIF11ALDH1A1DRD4PARP1
SCHEMBL14648534 0.71 ALDH1A1 (0.34) ALDH1A1MAPTPARP1HSP90AA1ESR2
SCHEMBL12438634 0.71 NOTUM (0.40) ALDH1A1GRIA1GRIA2GRIA3GRIA4
SCHEMBL12440349 0.70 KDM4E (0.37) ALDH1A1PARP1HSP90AA1ESR2TDP1

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-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
US-20130023568-A1 Benzimidazole Derivatives And Their Pharmaceutical Compositions And Uses Xuanzhu Pharma Co., Ltd. (CN) 2013-01-24 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 (2 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 HAVCR2 4737/4885KIF11 3872/4885ALDH1A1 346/4885
US-20130023568-A1 Benzimidazole Derivatives And Their Pharmaceutical Compositions And Uses F12, HRH2, H1-3 HAVCR2 4737/4885KIF11 3872/4885ALDH1A1 346/4885

“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.