SCHEMBL6748606

SCHEMBL6748606

CC(=O)N(c1c(-c2cc(F)c(F)c(F)c2C)nc2cc(C)ccn12)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.38
ALDH1A1 P00352 6/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
KDM4E B2RXH2 3/20 0.37
HSD17B10 Q99714 1/20 0.37
ATM Q13315 4/20 0.37
LMNA P02545 2/20 0.36
TSHR P16473 1/20 0.36
ALOX5 P09917 1/20 0.36
GFER P55789 3/20 0.35
MAPT P10636 3/20 0.35
GAA P10253 2/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
PKM P14618 2/20 0.35
TP53 P04637 1/20 0.34
P2RX3 P56373 1/20 0.34
P2RX2 Q9UBL9 1/20 0.34
MAPK1 P28482 2/20 0.34
HTT P42858 2/20 0.34

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
Hydrochloric Acid SCHEMBL5166037 0.82 LMNA (0.45) ALDH1A1SMN1; SMN2KDM4EATMLMNA
SCHEMBL5165861 0.81 ATM (0.41) ALDH1A1SMN1; SMN2KDM4EATMLMNA
SCHEMBL5166991 0.80 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2KDM4EATMLMNA
SCHEMBL5165767 0.77 GAA (0.56) ALDH1A1SMN1; SMN2LMNATSHRGFER
SCHEMBL5164712 0.77 MAPT (0.44) ALDH1A1SMN1; SMN2KDM4EHSD17B10ATM
SCHEMBL5168630 0.77 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2KDM4EATMLMNA
SCHEMBL5164734 0.77 GAA (0.46) ALDH1A1SMN1; SMN2KDM4EATMLMNA
SCHEMBL6750611 0.75 ALOX5 (0.63) ALDH1A1SMN1; SMN2KDM4EATMLMNA
SCHEMBL5166774 0.74 SLC2A1 (0.35) ALDH1A1SMN1; SMN2ATMLMNATSHR
Hydrochloric Acid SCHEMBL6748630 0.74 ALOX5 (0.62) ALDH1A1SMN1; SMN2KDM4EATMLMNA

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-20040023972-A1 Use of substituted imidazo[1,2-a]-pyridin-, -pyrimidin-and-pyrazin-3-yl-amine derivatives in the preparation of medicaments for inhibiting NOS GRUENENTHAL GMBH (DE) 2004-02-05 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-20040023972-A1 Use of substituted imidazo[1,2-a]-pyridin-, -pyrimidin-and-pyrazin-3-yl-amine derivatives in the preparation of medicaments for inhibiting NOS NOS1, PTGIS, NOS2 MGLL 1406/4885ALDH1A1 3066/4885SMN1; SMN2 59/4885

“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.