SCHEMBL3243783

SCHEMBL3243783

[CH2]c1ccc(CN(C)Cc2ccc(Oc3cncc(C)n3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 4/20 0.39
IGF1R P08069 4/20 0.36
DHFR P00374 1/20 0.36
KLKB1 P03952 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SRC P12931 1/20 0.34
PYCR1 P32322 1/20 0.33
ACHE P22303 2/20 0.32
MMP13 P45452 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
MAOB P27338 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
SCHEMBL3247173 0.88 ACHE (0.36) IGF1RACHEMEN1KMT2AMAOB
SCHEMBL3242252 0.74 LTA4H (0.42) ACHEMEN1ALDH1A1KMT2A
SCHEMBL4797887 0.71 IGF1R (0.43) P2RX3IGF1RKLKB1NPC1RAB9A
SCHEMBL2330756 0.71 TEAD4 (0.47) P2RX3IGF1RKLKB1NPC1RAB9A
SCHEMBL12677967 0.71 HTT (0.50) IGF1RNPC1RAB9ASMN1; SMN2SRC
SCHEMBL3237678 0.71 P2RX3 (0.34) P2RX3IGF1RKLKB1ACHEMAOB
SCHEMBL17274321 0.70 MIF (0.51) P2RX3IGF1RKLKB1NPC1RAB9A
SCHEMBL2463239 0.70 IGF1R (0.40) IGF1RSRCMEN1ALDH1A1HPGD
SCHEMBL3235955 0.70 PYCR1 (0.41) SMN1; SMN2PYCR1ALDH1A1HTTKMT2A
SCHEMBL12245330 0.69 RAB9A (0.50) P2RX3IGF1RNPC1RAB9ASMN1; SMN2

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-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 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-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives CFTR, PKD1, PKD2 P2RX3 229/4885IGF1R 1166/4885DHFR 736/4885

“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.