SCHEMBL5756449

SCHEMBL5756449

COc1cc2c(cc1OC)N(c1ccc([N+](=O)[O-])cn1)CC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.49
ALDH1A1 P00352 4/20 0.49
LMNA P02545 3/20 0.49
MAPK1 P28482 2/20 0.49
HTT P42858 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ROCK1 Q13464 1/20 0.47
ALOX12 P18054 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 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
SCHEMBL5755108 0.82 MAPT (0.54) MAPTALDH1A1LMNAMAPK1HTT
Hydrochloric Acid SCHEMBL5758288 0.79 GRIN2D (0.43) MAPTALDH1A1MAPK1SMN1; SMN2MEN1
SCHEMBL6562166 0.79 MAPT (0.57) MAPTALDH1A1LMNAMAPK1HTT
SCHEMBL27604266 0.74 PTK2 (0.51) ALDH1A1SMN1; SMN2HPGDRAB9ANPC1
SCHEMBL8649221 0.72 ROCK1 (0.50) MAPTALDH1A1LMNAMAPK1HTT
SCHEMBL9044161 0.72 ALDH1A1 (0.47) MAPTALDH1A1LMNAMAPK1HTT
SCHEMBL6948959 0.72 KDM4E (0.39) ALDH1A1MAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL8931660 0.71 MAPT (0.69) MAPTALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL18187707 0.71 ROCK1 (0.47) MAPTALDH1A1LMNAROCK1ALOX12
SCHEMBL31554509 0.70 ALDH1A1 (0.45) MAPTALDH1A1LMNAMAPK1HTT

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
EP-1349535-B1 INDOLE/INDOLINE BASED HYBRID DYES AND INDOLE/INDOLINE BASED HYBRID DYE INTERMEDIATE PRODUCTS HENKEL KGAA (DE) 2006-11-02 EP disclosed
US-6736862-B2 DYEING KERATIN FIBERS; HAIR DYES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-05-18 US disclosed
US-20040006834-A1 Indole/indoline based hybrid dyes and indole/indoline based hybrid dye intermediate products HENKEL AG & CO. KGAA (DE) 2004-01-15 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-20040006834-A1 Indole/indoline based hybrid dyes and indole/indoline based hybrid dye intermediate products KRT18, TYR, IDO1 MAPT 1133/4885ALDH1A1 1619/4885LMNA 283/4885

“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.