SCHEMBL6497971

SCHEMBL6497971

CC(C)(C)c1nnn(-c2ccc([N+](=O)[O-])cc2)n1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
MAPT P10636 3/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ABCG2 Q9UNQ0 6/20 0.43
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.40
SIRT6 Q8N6T7 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
HSD11B1 P28845 1/20 0.39

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
SCHEMBL720456 0.80 HTT (0.51) HTTMAPTKMT2AMEN1ABCG2
SCHEMBL27912191 0.76 HTT (0.44) HTTMAPTKMT2AMEN1ABCG2
SCHEMBL6506947 0.76 NPC1 (0.37) MAPTKMT2AMEN1ALDH1A1PKM
SCHEMBL9660058 0.75 ABCG2 (0.51) HTTMAPTKMT2AMEN1ABCG2
Hydrochloric Acid SCHEMBL9098315 0.74 ABCG2 (0.50) HTTKMT2AMEN1ABCG2PKM
SCHEMBL3750773 0.73 HTT (0.51) HTTMAPTKMT2AMEN1ALDH1A1
SCHEMBL28425962 0.73 HTT (0.44) HTTMAPTKMT2AMEN1ABCG2
SCHEMBL6751826 0.72 NPC1 (0.61) MAPTKMT2AMEN1ABCG2ALDH1A1
Hydrochloric Acid SCHEMBL3318213 0.71 NPC1 (0.60) MAPTKMT2AMEN1ABCG2ALDH1A1
SCHEMBL31051680 0.69 ABCG2 (0.60) KMT2AMEN1ABCG2PKMSMN1; 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 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 HTT 4141/4885MAPT 4247/4885KMT2A 3248/4885

“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.