SCHEMBL22372426

SCHEMBL22372426

CCN(CC)c1ccc2nc3c4ccccc4c(=S)cc-3oc2c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.75
KMT2A Q03164 8/20 0.75
NPC1 O15118 5/20 0.75
RAB9A P51151 4/20 0.75
POLB P06746 3/20 0.75
SCP2 P22307 1/20 0.48
ALDH1A1 P00352 7/20 0.39
KDM4E B2RXH2 5/20 0.39
L3MBTL1 Q9Y468 4/20 0.39
GLA P06280 2/20 0.39
MAPT P10636 7/20 0.39
TERT O14746 1/20 0.38
CASP1 P29466 4/20 0.38
CASP7 P55210 4/20 0.38
HTT P42858 4/20 0.38
HSD17B10 Q99714 3/20 0.38
TP53 P04637 2/20 0.38
BRCA1 P38398 2/20 0.38
ALOX15 P16050 1/20 0.38
MPI P34949 1/20 0.38

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
Nile Blue SCHEMBL12393690 0.87 MEN1 (0.77) MEN1KMT2ANPC1RAB9APOLB
Nile Blue SCHEMBL29356294 0.87 MEN1 (0.77) MEN1KMT2ANPC1RAB9APOLB
Nile Red SCHEMBL29373685 0.86 MEN1 (1.00) MEN1KMT2ANPC1RAB9APOLB
Nile Red SCHEMBL49047 0.86 MEN1 (1.00) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL22372431 0.85 MEN1 (0.61) MEN1KMT2ANPC1RAB9APOLB
Nile Red SCHEMBL28703996 0.83 MEN1 (0.93) MEN1KMT2ANPC1RAB9APOLB
Nile Blue SCHEMBL4051132 0.81 MEN1 (0.71) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL12925249 0.81 RAB9A (0.68) MEN1KMT2ANPC1RAB9APOLB
Nile Blue SCHEMBL4051129 0.81 MEN1 (0.71) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL998276 0.79 MEN1 (0.66) MEN1KMT2ANPC1RAB9APOLB

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-11913884-B2 Visible light-activated dyes and methods of use thereof WILLIAM MARSH RICE UNIVERSITY (US) 2024-02-27 US disclosed
US-11913884-B2 Visible light-activated dyes and methods of use thereof WILLIAM MARSH RICE UNIVERSITY (US) 2024-02-27 US disclosed
US-20200271587-A1 VISIBLE LIGHT-ACTIVATED DYES AND METHODS OF USE THEREOF WILLIAM MARSH RICE UNIVERSITY 2020-08-27 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 (2 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-20200271587-A1 VISIBLE LIGHT-ACTIVATED DYES AND METHODS OF USE THEREOF HCCS, CLTB, ALDH1A2 MEN1 3117/4885KMT2A 3471/4885NPC1 2031/4885
US-11913884-B2 Visible light-activated dyes and methods of use thereof HCCS, CLTB, ALDH1A2 MEN1 3117/4885KMT2A 3471/4885NPC1 2031/4885

“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.