SCHEMBL1808482

SCHEMBL1808482

COc1cc([NH])ccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
DYRK1A Q13627 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
MAPK1 P28482 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
USP2 O75604 1/20 0.42
POLB P06746 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
ALOX12 P18054 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TSHR P16473 1/20 0.41
MCOLN3 Q8TDD5 1/20 0.41
FFAR4 Q5NUL3 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL655137 0.82 NPC1 (0.43) GAANPC1ALDH1A1MAPTL3MBTL1
SCHEMBL1401597 0.78 CA2 (0.54) ALDH1A1MAPK1POLBCYP2C9CYP2C19
SCHEMBL1633580 0.77 GAA (0.43) GAANPC1ALDH1A1MAPTDYRK1A
SCHEMBL254432 0.76 TRPV4 (0.53) GAANPC1ALDH1A1MAPTDYRK1A
SCHEMBL4302847 0.76 DYRK1A (0.65) GAANPC1ALDH1A1MAPTDYRK1A
SCHEMBL4975863 0.74 GAA (0.45) GAANPC1ALDH1A1MAPTDYRK1A
SCHEMBL128701 0.74 MAPT (0.67) GAANPC1ALDH1A1MAPTDYRK1A
SCHEMBL196970 0.74 CA12 (0.62) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL29586665 0.74 CA12 (0.62) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL14127254 0.74 CA12 (0.62) GAAALDH1A1MAPTMEN1KMT2A

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 GAA 2451/4885NPC1 1531/4885ALDH1A1 218/4885

“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.