SCHEMBL774588

SCHEMBL774588

CC(=O)Nc1cc(C)c(O)cc1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.56
KMT2A Q03164 3/20 0.56
NPC1 O15118 4/20 0.50
MAPT P10636 4/20 0.50
RAB9A P51151 3/20 0.50
ESR1 P03372 1/20 0.50
ALDH1A1 P00352 5/20 0.48
HPGD P15428 2/20 0.48
HTT P42858 1/20 0.45
GFER P55789 2/20 0.45
GAA P10253 2/20 0.45
PKM P14618 2/20 0.44
KDM4E B2RXH2 3/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
APOBEC3A P31941 1/20 0.43
HDAC1 Q13547 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
PHPT1 Q9NRX4 1/20 0.43
CYP3A4 P08684 2/20 0.43

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
SCHEMBL5888424 1.00 POLB (0.56) POLBKMT2ANPC1MAPTRAB9A
SCHEMBL29819513 0.89 ALDH1A1 (0.58) POLBKMT2ANPC1MAPTRAB9A
SCHEMBL4695941 0.85 POLB (0.57) POLBKMT2AMAPTRAB9AESR1
SCHEMBL4958829 0.85 POLB (0.57) POLBKMT2ANPC1MAPTRAB9A
SCHEMBL10306224 0.85 ALDH1A1 (0.54) POLBKMT2ANPC1MAPTRAB9A
SCHEMBL14135487 0.82 CA1 (0.49) POLBKMT2ANPC1MAPTRAB9A
SCHEMBL7757072 0.82 ALDH1A1 (0.49) POLBKMT2ANPC1MAPTRAB9A
SCHEMBL1028607 0.82 NPC1 (0.46) POLBKMT2ANPC1MAPTRAB9A
SCHEMBL7208168 0.81 ALDH1A1 (0.50) POLBKMT2ANPC1MAPTRAB9A
SCHEMBL10588215 0.80 PKM (0.69) POLBKMT2ANPC1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071663-A1 Preparation of N'-(4--2,5-dimethylphenyl)-N- ethyl-N-methylimidoformamide BAYER CROPSCIENCE AG (DE) 2012-03-22 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-20120071663-A1 Preparation of N'-(4--2,5-dimethylphenyl)-N- ethyl-N-methylimidoformamide NT5C, NT5E, NT5C3B POLB 2464/4885KMT2A 144/4885NPC1 1284/4885

“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.