SCHEMBL4033424

SCHEMBL4033424

Cc1cn(C)cc1C(=O)Nc1ccccc1C(C)CC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.39
ATM Q13315 1/20 0.39
LMNA P02545 5/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 3/20 0.36
HTT P42858 2/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
CFTR P13569 1/20 0.36
MAPT P10636 2/20 0.36
SLC16A3 O15427 1/20 0.35
CNR2 P34972 1/20 0.35
DHODH Q02127 1/20 0.35
TP53 P04637 2/20 0.34
NPC1 O15118 1/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
CYP1A2 P05177 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
SCHEMBL14176574 0.86 DHODH (0.38) PKMATMLMNAGAAALDH1A1
SCHEMBL12263896 0.86 ATM (0.40) PKMATMLMNAGAAALDH1A1
SCHEMBL14364822 0.85 SMN1; SMN2 (0.40) LMNAGAAALDH1A1KDM4EHPGD
SCHEMBL14176571 0.85 SMN1; SMN2 (0.40) LMNAGAAALDH1A1KDM4EHPGD
SCHEMBL14423097 0.84 SLC16A3 (0.49) ATMLMNAGAAALDH1A1HTT
SCHEMBL273097 0.83 ATM (0.60) PKMATMLMNAGAAALDH1A1
SCHEMBL10238267 0.81 ATM (0.46) PKMATMLMNAGAAALDH1A1
SCHEMBL17999739 0.80 CCR8 (0.33) ATMLMNAALDH1A1HTTHSD17B10
SCHEMBL13295595 0.80 ATM (0.45) ATMLMNAGAAALDH1A1KDM4E
SCHEMBL27706695 0.80 ATM (0.42) PKMATMLMNAGAAALDH1A1

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-20160227778-A1 SEED DRESSING FOR CONTROLLING PHYTOPATHOGENIC FUNGI BAYER IP GMBH (DE) 2016-08-11 US disclosed
EP-1968381-B1 SYNERGISTIC FUNGICIDAL ACTIVE SUBSTANCE COMBINATIONS BAYER CROPSCIENCE AG (DE) 2009-04-29 EP 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-20160227778-A1 SEED DRESSING FOR CONTROLLING PHYTOPATHOGENIC FUNGI DPM1, MGAM, SUCLG1 PKM 3103/4885ATM 4765/4885LMNA 4814/4885

“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.