SCHEMBL4537415

SCHEMBL4537415

O=C(c1[c]cccc1)N(c1ccccc1)N1CCCC1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
POLB P06746 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CHRM2 P08172 4/20 0.34
CHRM3 P20309 4/20 0.34
OPRM1 P35372 4/20 0.33
OPRD1 P41143 4/20 0.33
OPRK1 P41145 4/20 0.33
TDP1 Q9NUW8 3/20 0.33
KDM4E B2RXH2 3/20 0.33
ADRA1A P35348 2/20 0.33
ADRA1B P35368 2/20 0.33
LMNA P02545 1/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TSHR P16473 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
SCHEMBL4292570 0.99 ALDH1A1 (0.38) ALDH1A1POLBSMN1; SMN2CHRM2CHRM3
SCHEMBL4299853 0.87 SIGMAR1 (0.38) ALDH1A1POLBCHRM2CHRM3OPRM1
SCHEMBL4537418 0.78 ALDH1A1 (0.39) ALDH1A1POLBSMN1; SMN2CHRM2CHRM3
SCHEMBL4292571 0.77 ALDH1A1 (0.39) ALDH1A1POLBSMN1; SMN2CHRM2CHRM3
SCHEMBL8544469 0.76 ALDH1A1 (0.45) ALDH1A1POLBSMN1; SMN2TDP1KDM4E
SCHEMBL4142245 0.74 ALDH1A1 (0.47) ALDH1A1POLBSMN1; SMN2TDP1KDM4E
SCHEMBL6678143 0.74 NPSR1 (0.48) ALDH1A1POLBSMN1; SMN2CHRM3TDP1
SCHEMBL28026626 0.73 ALDH1A1 (0.42) ALDH1A1POLBSMN1; SMN2TDP1KDM4E
SCHEMBL8542716 0.71 POLB (0.49) ALDH1A1POLBKDM4ELMNANPC1
SCHEMBL11416538 0.71 NPSR1 (0.36) ALDH1A1POLBSMN1; SMN2CHRM2CHRM3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090286779-A1 PYRAZOLOPYRIMIDINES AS LIPID KINASE INHIBITORS NOVARTIS AG 2009-11-19 US claimed
US-20090286779-A1 PYRAZOLOPYRIMIDINES AS LIPID KINASE INHIBITORS NOVARTIS AG 2009-11-19 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-20090286779-A1 PYRAZOLOPYRIMIDINES AS LIPID KINASE INHIBITORS ATR, ATM, CHEK1 ALDH1A1 4053/4885POLB 780/4885SMN1; SMN2 2315/4885

“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.