SCHEMBL14001041

SCHEMBL14001041

Cc1ccc(C)c(N=O)c1N=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
ATM Q13315 2/20 0.38
MAPT P10636 2/20 0.38
HTT P42858 3/20 0.34
HSP90AA1 P07900 3/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 2/20 0.32
TSHR P16473 2/20 0.32
ACHE P22303 1/20 0.32
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
MAPK8 P45983 2/20 0.31
MAPK9 P45984 2/20 0.31

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
SCHEMBL6933174 0.81 KMT2A (0.48) KMT2AATMMAPTHTTHSP90AA1
SCHEMBL3282798 0.81 ALDH1A1 (0.42) KMT2AATMMAPTHTTHSP90AA1
SCHEMBL9394310 0.81 POLB (0.42) KMT2AATMMAPTHTTALDH1A1
SCHEMBL5674236 0.81 LMNA (0.37) KMT2AATMMAPTHTTALDH1A1
SCHEMBL10289762 0.79 MAPT (0.32) KMT2AATMMAPTLMNA
SCHEMBL12627630 0.77 CYP3A4 (0.39) KMT2AATMMAPTHTTALDH1A1
SCHEMBL9437376 0.77 TRPA1 (0.39) KMT2AATMMAPTHSP90AA1ALDH1A1
SCHEMBL21540190 0.75 ALDH1A1 (0.37) KMT2AATMMAPTHTTHSP90AA1
SCHEMBL14118304 0.74 TSHR (0.54) KMT2AATMMAPTHSP90AA1ALDH1A1
SCHEMBL11230056 0.73 HSP90AA1 (0.33) KMT2AATMMAPTHSP90AA1TDP2

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-7468080-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-12-23 US disclosed
US-20080134450-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof WELLA OPERATIONS US, LLC 2008-06-12 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-20080134450-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, KRTCAP2 KMT2A 1797/4885ATM 2846/4885MAPT 446/4885

“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.