SCHEMBL4363073

SCHEMBL4363073

[c]1nc2c(-c3[nH]cc4ccccc34)cccc2[nH]1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.33
IMPDH2 P12268 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
CLK1 P49759 1/20 0.31
GSK3B P49841 1/20 0.31
CDK5 Q00535 1/20 0.31
DYRK1A Q13627 1/20 0.31
CDK5R1 Q15078 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
SCHEMBL6489268 0.80 BCHE (0.40) BCHEMAPK1HSD17B10ALDH1A1MAPT
SCHEMBL33442 0.76 BCHE (0.47) BCHEMAPK1ALDH1A1MAPTSMN1; SMN2
SCHEMBL4623912 0.76 METAP2 (0.35) MAPK1HSD17B10ALDH1A1LMNACYP1A2
SCHEMBL434158 0.72 METAP2 (0.43) MAPK1HSD17B10ALDH1A1SMN1; SMN2CDK5
SCHEMBL8560624 0.71 BCHE (0.51) BCHEHSD17B10ALDH1A1MAPTSMN1; SMN2
SCHEMBL1756320 0.71 BCHE (0.33) BCHEIMPDH2MAPK1HSD17B10ALDH1A1
SCHEMBL3226179 0.71 KDR (0.35) GSK3BCDK5DYRK1APDGFRB
SCHEMBL3638684 0.71 KDM4E (0.49) MAPK1HSD17B10ALDH1A1LMNACYP1A2
SCHEMBL38673 0.71 RAB9A (0.48) HSD17B10ALDH1A1LMNACYP1A2MAPT
SCHEMBL4116491 0.71 PARP14 (0.45) BCHE

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-20090191250-A1 Antimicrobial Composite Material and Method for Fluid Treatment WATER VISIONS INTERNATIONAL, INC. (US) 2009-07-30 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-20090191250-A1 Antimicrobial Composite Material and Method for Fluid Treatment FHIT, CAPG, PUF60 BCHE 1135/4885IMPDH2 1225/4885MAPK1 4525/4885

“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.