SCHEMBL4417665

SCHEMBL4417665

Pc1cc2ccccc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.54
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
LOXL2 Q9Y4K0 1/20 0.48
FLT3 P36888 1/20 0.48
CYP2A6 P11509 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA3 P07451 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA13 Q8N1Q1 1/20 0.48
CA14 Q9ULX7 1/20 0.48
CA5B Q9Y2D0 1/20 0.48
KDM4E B2RXH2 4/20 0.47
MAPT P10636 3/20 0.47
DAO P14920 2/20 0.47

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
SCHEMBL30085220 1.00 AOC3 (0.54) AOC3NPC1RAB9ALOXL2FLT3
Benzimidazole SCHEMBL28414440 0.80 KDM4E (0.40) AOC3NPC1RAB9ALOXL2KDM4E
SCHEMBL29631691 0.74 RAB9A (0.74) AOC3NPC1RAB9ALOXL2FLT3
SCHEMBL374022 0.74 RAB9A (0.74) AOC3NPC1RAB9ALOXL2FLT3
SCHEMBL28593629 0.73 AOC3 (0.52) AOC3NPC1RAB9ALOXL2FLT3
SCHEMBL31491477 0.73 DAO (0.60) AOC3NPC1RAB9AFLT3CYP2A6
SCHEMBL29377234 0.72 AOC3 (0.56) AOC3NPC1RAB9ALOXL2FLT3
SCHEMBL1388385 0.70 AOC3 (0.54) AOC3NPC1RAB9ALOXL2FLT3
SCHEMBL274332 0.70 FLT3 (0.59) AOC3NPC1RAB9ALOXL2FLT3
SCHEMBL223071 0.70 AOC3 (0.54) AOC3NPC1RAB9ALOXL2FLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113402553-B Phosphine ligand of 2-alkyl-indole skeleton, preparation method and application thereof 香港理工大学深圳研究院 2023-06-16 CN disclosed
CN-112824422-B Chiral ferrocene-indole diphosphine ligand as well as preparation method and application thereof 中国科学院大连化学物理研究所(CN) 2023-01-13 CN disclosed
CN-113402553-A 2-alkyl-indole skeleton phosphine ligand and preparation method and application thereof 香港理工大学深圳研究院 2021-09-17 CN disclosed
WO-2017193288-A1 SYNTHESIS OF PHOSPHINE LIGANDS BEARING TUNABLE LINKAGE: METHODS OF THEIR USE IN CATALYSIS THE HONG KONG POLYTECHNIC UNIVERSITY SHENZHEN RESEARCH INSTITUTE (CN) 2017-11-16 WO disclosed
WO-2017193288-A1 SYNTHESIS OF PHOSPHINE LIGANDS BEARING TUNABLE LINKAGE: METHODS OF THEIR USE IN CATALYSIS THE HONG KONG POLYTECHNIC UNIVERSITY SHENZHEN RESEARCH INSTITUTE (CN) 2017-11-16 WO disclosed
US-8212056-B2 Ligands for transition-metals and methods of use THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2012-07-03 US disclosed
US-8212056-B2 Ligands for transition-metals and methods of use THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2012-07-03 US disclosed
US-20090326243-A1 Ligands for transition-metals and methods of use THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2009-12-31 US disclosed
US-20090326243-A1 Ligands for transition-metals and methods of use THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2009-12-31 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-20090326243-A1 Ligands for transition-metals and methods of use PDK4, PDXK, PDK3 AOC3 2369/4885NPC1 3041/4885RAB9A 4038/4885

“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.