SCHEMBL1806259

SCHEMBL1806259

CC(=O)Nc1c(O)ccc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 1/20 0.59
ABCC8 Q09428 1/20 0.59
KCNJ11 Q14654 1/20 0.59
KCNJ8 Q15842 1/20 0.59
G6PD P11413 1/20 0.55
HCRTR1 O43613 1/20 0.54
HKDC1 Q2TB90 1/20 0.51
KMT2A Q03164 2/20 0.51
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 3/20 0.50
POLB P06746 2/20 0.50
MEN1 O00255 1/20 0.49
HSD17B2 P37059 1/20 0.48
IDO1 P14902 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
PTPN22 Q9Y2R2 1/20 0.47
MAPT P10636 1/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL3820869 0.83 G6PD (0.50) ABCC9ABCC8KCNJ11KCNJ8G6PD
SCHEMBL30640474 0.82 KCNJ11 (0.59) ABCC9ABCC8KCNJ11KCNJ8KMT2A
SCHEMBL20194455 0.82 KCNJ11 (0.59) ABCC9ABCC8KCNJ11KCNJ8KMT2A
SCHEMBL1806258 0.82 ABCC9 (0.59) ABCC9ABCC8KCNJ11KCNJ8KMT2A
SCHEMBL5320235 0.82 GAA (0.58) G6PDHCRTR1HKDC1KMT2AKDM4E
SCHEMBL2369773 0.81 KCNJ11 (0.57) ABCC9ABCC8KCNJ11KCNJ8KMT2A
SCHEMBL8899556 0.79 ABCC9 (0.55) ABCC9ABCC8KCNJ11KCNJ8KMT2A
SCHEMBL24953153 0.79 ALOX15 (0.56) KCNJ11G6PDHCRTR1HKDC1KMT2A
SCHEMBL7746823 0.79 ABCC9 (0.56) ABCC9ABCC8KCNJ11KCNJ8KMT2A
SCHEMBL29625679 0.79 ALOX15 (0.56) KCNJ11G6PDHCRTR1HKDC1KMT2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114401935-B Ion channel antagonists/blockers and uses thereof 上海市东方医院(同济大学附属东方医院) 2024-04-05 CN disclosed
CN-114401935-A Ion channel antagonists/blockers and uses thereof 上海市东方医院(同济大学附属东方医院) 2022-04-26 CN disclosed
WO-2021114313-A1 ION CHANNEL ANTAGONISTS/BLOCKERS AND USES THEREOF SHANGHAI EAST HOSPITAL (CN) 2021-06-17 WO disclosed
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
US-5229502-A PREPARATION OF 1:2 CHROMIUM COMPLEXES ONE SULFO SUBSTITUTED AND ONE SULFONAMIDO OR THE LIKE SUBSTITUTED AZO DYES CIBA-GEIGY CORPORATION (US) 1993-07-20 US disclosed
EP-0036143-A1 Process for the production of 1-amino-2-ethoxy-naphthalene-6-sulphonic acid BAYER AG (DE) 1981-09-23 EP 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.