SCHEMBL1807259

SCHEMBL1807259

CCOc1cccc2cc(N)ccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
MAPT P10636 3/20 0.49
KDM4E B2RXH2 2/20 0.49
GAA P10253 2/20 0.49
PLAU P00749 1/20 0.49
TP53 P04637 1/20 0.49
CYP3A4 P08684 1/20 0.49
TLR8 Q9NR97 1/20 0.45
HSD17B10 Q99714 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP2A6 P11509 1/20 0.44
ELANE P08246 1/20 0.42
TERT O14746 1/20 0.42
ABCB11 O95342 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL1807351 0.85 CYP1A2 (0.56) ALDH1A1MAPTKDM4EGAAPLAU
SCHEMBL30539214 0.84 MCHR1 (0.54) TLR8HTR1BTSHR
SCHEMBL24168814 0.84 MCHR1 (0.54) TLR8HTR1BTSHR
SCHEMBL38658832 0.83 PLAU (0.49) ALDH1A1MAPTKDM4EPLAUTP53
SCHEMBL2792602 0.82 HTR1B (0.46) PLAUHTR1B
SCHEMBL29102436 0.81 CYP2A6 (0.47) ALDH1A1MAPTTLR8L3MBTL1CYP2A6
SCHEMBL29919659 0.81 CYP2A6 (0.47) ALDH1A1MAPTTLR8L3MBTL1CYP2A6
SCHEMBL7834554 0.81 CYP1A2 (0.53) ALDH1A1MAPTKDM4EHPGDL3MBTL1
SCHEMBL3819303 0.81 CYP2D6 (0.46) ALDH1A1MAPTKDM4EGAATP53
SCHEMBL229214 0.80 PLAU (0.53) ALDH1A1MAPTKDM4EGAAPLAU

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-8404036-B2 Water-soluble near-infrared absorbing coloring matters and aqueous inks containing same NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-03-26 US disclosed
US-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-05-26 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-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME IK, RB1, COL1A1 ALDH1A1 218/4885MAPT 2252/4885KDM4E 1406/4885

“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.