SCHEMBL6507597

SCHEMBL6507597

CC(C)(C)n1nnc(-c2ccc(N)cc2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.57
LMNA P02545 3/20 0.57
AOC3 Q16853 2/20 0.50
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HDAC6 Q9UBN7 2/20 0.40
KEAP1 Q14145 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TP53 P04637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LTA4H P09960 2/20 0.36

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
SCHEMBL9078674 0.84 AOC3 (0.48) SMN1; SMN2LMNAAOC3NPC1RAB9A
SCHEMBL6601376 0.82 AOC3 (0.50) SMN1; SMN2LMNAAOC3NPC1RAB9A
SCHEMBL20714306 0.82 AOC3 (0.50) SMN1; SMN2LMNAAOC3NPC1RAB9A
SCHEMBL9079266 0.82 AOC3 (0.47) SMN1; SMN2LMNAAOC3NPC1RAB9A
SCHEMBL6601841 0.82 AOC3 (0.47) SMN1; SMN2LMNAAOC3NPC1RAB9A
SCHEMBL22231486 0.82 AOC3 (0.47) SMN1; SMN2LMNAAOC3NPC1RAB9A
SCHEMBL7390849 0.82 SMN1; SMN2 (0.53) SMN1; SMN2LMNAAOC3NPC1RAB9A
SCHEMBL4415031 0.81 SMN1; SMN2 (0.60) SMN1; SMN2AOC3NPC1RAB9APOLB
SCHEMBL21889509 0.79 LTA4H (0.55) SMN1; SMN2LMNAAOC3NPC1RAB9A
SCHEMBL4638106 0.79 AOC3 (0.44) SMN1; SMN2LMNAAOC3RAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050107456-A1 Substituted pyrazolines for use as pesticides BAYER CROPSCIENCE AG (DE) 2005-05-19 US disclosed
EP-1467971-A1 SUBSTITUTED PYRAZOLINES FOR USE AS PESTICIDES Bayer CropScience AG (DE) 2004-10-20 EP disclosed
WO-2003059887-A1 SUBSTITUTED PYRAZOLINES FOR USE AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2003-07-24 WO 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-20050107456-A1 Substituted pyrazolines for use as pesticides DDT, ACHE, CHRM1 SMN1; SMN2 2827/4885LMNA 4513/4885AOC3 486/4885

“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.