SCHEMBL1187763

SCHEMBL1187763

c1ccc2nc3cccc(-c4ccc5ccccc5c4-c4cccc5nc6ccccc6cc45)c3cc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
KMT2A Q03164 5/20 0.49
GLA P06280 3/20 0.49
HPGD P15428 3/20 0.49
RAB9A P51151 3/20 0.49
KDM4E B2RXH2 3/20 0.49
NPC1 O15118 2/20 0.49
POLB P06746 2/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
PTBP1 P26599 1/20 0.49
RCE1 Q9Y256 1/20 0.49
DNMT1 P26358 1/20 0.45
MAPT P10636 3/20 0.44
ACHE P22303 2/20 0.44
ESR1 P03372 3/20 0.42
ESR2 Q92731 3/20 0.42
MEN1 O00255 4/20 0.40
SOS1 Q07889 1/20 0.39
ANPEP P15144 1/20 0.39

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
SCHEMBL1187275 0.86 ALDH1A1 (0.58) ALDH1A1KMT2AGLAHPGDRAB9A
SCHEMBL27961756 0.84 ALDH1A1 (0.56) ALDH1A1KMT2AGLAHPGDRAB9A
SCHEMBL28560797 0.84 ALDH1A1 (0.46) ALDH1A1KMT2AGLAHPGDRAB9A
SCHEMBL4014126 0.84 KMT2A (0.64) ALDH1A1KMT2AGLAHPGDRAB9A
SCHEMBL29410608 0.80 DNMT1 (0.59) ALDH1A1KMT2AHPGDRAB9AKDM4E
SCHEMBL196007 0.80 DNMT1 (0.59) ALDH1A1KMT2AHPGDRAB9AKDM4E
SCHEMBL29787010 0.80 DNMT1 (0.59) ALDH1A1KMT2AHPGDRAB9AKDM4E
SCHEMBL31307687 0.79 DNMT1 (0.57) ALDH1A1KMT2AHPGDRAB9AKDM4E
SCHEMBL29810649 0.79 DNMT1 (0.57) ALDH1A1KMT2AHPGDRAB9AKDM4E
SCHEMBL1187919 0.78 ALDH1A1 (0.56) ALDH1A1KMT2AGLAHPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7888509-B2 Chiral 1,8-diarylnaphthalenes, methods of making them, and their use as sensors GEORGETOWN UNIVERSITY (US) 2011-02-15 US disclosed
US-20070276140-A1 Chiral 1,8-Diarylnaphthalenes, Methods of Making Them, and Their Use as Sensors GEORGETOWN UNIVERSITY (US) 2007-11-29 US disclosed
WO-2005043124-A2 CHIRAL 1,8-DIARYLNAPHTHALENES, METHODS OF MAKING THEM, AND THEIR USE AS SENSORS GEORGETOWN UNIVERSITY (US) 2005-05-12 WO 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-20070276140-A1 Chiral 1,8-Diarylnaphthalenes, Methods of Making Them, and Their Use as Sensors ALKBH2, ALKBH1, ALG3 ALDH1A1 39/4885KMT2A 1186/4885GLA 4276/4885

“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.