SCHEMBL1806258

SCHEMBL1806258

CC(=O)Nc1c([O])ccc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 3/20 0.59
ABCC8 Q09428 3/20 0.59
KCNJ11 Q14654 3/20 0.59
KCNJ8 Q15842 3/20 0.59
KDM4E B2RXH2 6/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
IDO1 P14902 1/20 0.47
POLB P06746 5/20 0.46
ALDH1A1 P00352 4/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
MAPT P10636 5/20 0.44
HPGD P15428 2/20 0.44
TSHR P16473 1/20 0.43
KDM1A O60341 1/20 0.43
MITF O75030 1/20 0.43
LMNA P02545 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
SCHEMBL20194455 0.82 KCNJ11 (0.59) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL30640474 0.82 KCNJ11 (0.59) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL1806259 0.82 ABCC9 (0.59) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL2369773 0.81 KCNJ11 (0.57) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL8899556 0.79 ABCC9 (0.55) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL2889109 0.79 KCNJ11 (0.56) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL7746823 0.79 ABCC9 (0.56) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL23499928 0.78 MTNR1A (0.56) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL2892422 0.78 ABCC9 (0.55) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL10563277 0.77 ABCC9 (0.54) ABCC9ABCC8KCNJ11KCNJ8KDM4E

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 ABCC9 802/4885ABCC8 1790/4885KCNJ11 76/4885

“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.