SCHEMBL22032508

SCHEMBL22032508

Brc1cccc(/C=C/c2ccccn2)n1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.64
RAB9A P51151 5/20 0.64
KMT2A Q03164 3/20 0.64
MEN1 O00255 2/20 0.64
ATM Q13315 1/20 0.64
GRM4 Q14833 2/20 0.55
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
NR4A1 P22736 1/20 0.41
FGFR1 P11362 1/20 0.41
MAOA P21397 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL4542158 0.80 GRM4 (0.61) NPC1RAB9AKMT2AMEN1GRM4
SCHEMBL4542155 0.80 GRM4 (0.61) NPC1RAB9AKMT2AMEN1GRM4
SCHEMBL229328 0.80 NPC1 (1.00) NPC1RAB9AKMT2AMEN1ATM
SCHEMBL9394256 0.80 NPC1 (1.00) NPC1RAB9AKMT2AMEN1ATM
SCHEMBL229329 0.80 NPC1 (1.00) NPC1RAB9AKMT2AMEN1ATM
SCHEMBL31560044 0.80 NPC1 (1.00) NPC1RAB9AKMT2AMEN1ATM
SCHEMBL840645 0.76 ALDH1A1 (0.39) NPC1RAB9AKMT2AMEN1ATM
SCHEMBL4711050 0.76 RAB9A (0.67) NPC1RAB9AKMT2AMEN1ATM
SCHEMBL4711051 0.76 RAB9A (0.67) NPC1RAB9AKMT2AMEN1ATM
SCHEMBL840646 0.76 ALDH1A1 (0.39) NPC1RAB9AKMT2AMEN1ATM

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-20220025432-A1 METHOD FOR FLUORESCENCE LABELING OF BIOLOGICAL MATERIALS, THERMALLY REMOVABLE FLUORESCENT LABELS FOR THIS METHOD, AND METHODS OF THEIR PREPARATION AND USE FUTURESYNTHESIS SPÓLKA Z O.O. (PL) 2022-01-27 US disclosed
EP-3891225-A1 METHOD FOR FLUORESCENCE LABELING OF BIOLOGICAL MATERIALS, THERMALLY REMOVABLE FLUORESCENT LABELS FOR THIS METHOD, AND METHODS OF THEIR PREPARATION AND USE Futuresynthesis Spólka z o.o. (PL) 2021-10-13 EP disclosed
WO-2020117079-A1 METHOD FOR FLUORESCENCE LABELING OF BIOLOGICAL MATERIALS, THERMALLY REMOVABLE FLUORESCENT LABELS FOR THIS METHOD, AND METHODS OF THEIR PREPARATION AND USE FUTURESYNTHESIS SPÓLKA Z O.O. (PL) 2020-06-11 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-20220025432-A1 METHOD FOR FLUORESCENCE LABELING OF BIOLOGICAL MATERIALS, THERMALLY REMOVABLE FLUORESCENT LABELS FOR THIS METHOD, AND METHODS OF THEIR PREPARATION AND USE DUT, NOP2, NUDT1 NPC1 1489/4885RAB9A 3192/4885KMT2A 2586/4885

“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.