SCHEMBL4537418

SCHEMBL4537418

O=C(c1cc[c]cc1)N(c1ccccc1)N1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
POLB P06746 2/20 0.39
SMN1; SMN2 Q16637 4/20 0.37
HPGD P15428 3/20 0.37
PKM P14618 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM3 P20309 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 2/20 0.34
MAPK1 P28482 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
STAT1 P42224 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 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
SCHEMBL4292571 0.98 ALDH1A1 (0.39) ALDH1A1POLBSMN1; SMN2HPGDPKM
SCHEMBL4299855 0.87 SIGMAR1 (0.42) ALDH1A1POLBCHRM2CHRM3TSHR
SCHEMBL4537415 0.78 ALDH1A1 (0.36) ALDH1A1POLBSMN1; SMN2HPGDCHRM2
SCHEMBL8544469 0.77 ALDH1A1 (0.45) ALDH1A1POLBSMN1; SMN2HPGDL3MBTL1
SCHEMBL4292570 0.77 ALDH1A1 (0.38) ALDH1A1POLBSMN1; SMN2HPGDCHRM2
SCHEMBL4142245 0.75 ALDH1A1 (0.47) ALDH1A1POLBSMN1; SMN2HPGDLMNA
SCHEMBL379431 0.75 SIGMAR1 (0.51) ALDH1A1POLBSMN1; SMN2CHRM2CHRM3
SCHEMBL28026626 0.74 ALDH1A1 (0.42) ALDH1A1POLBSMN1; SMN2HPGDL3MBTL1
SCHEMBL6678148 0.73 NPSR1 (0.50) ALDH1A1POLBSMN1; SMN2HPGDL3MBTL1
SCHEMBL18428973 0.72 ALDH1A1 (0.45) ALDH1A1POLBSMN1; SMN2HPGDPKM

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.