SCHEMBL21186261

SCHEMBL21186261

O=Nc1ccc(NNc2ccccc2)c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
TDP1 Q9NUW8 4/20 0.43
CTSD P07339 1/20 0.43
KDM4E B2RXH2 3/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP3A4 P08684 3/20 0.36
TSHR P16473 3/20 0.36
HSD17B10 Q99714 2/20 0.36
HTT P42858 1/20 0.36
IDO1 P14902 4/20 0.35
NPC1 O15118 1/20 0.33
XBP1 P17861 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL8966295 0.84 TDP1 (0.59) ALDH1A1TDP1KDM4EMAPTMEN1
SCHEMBL1275295 0.76 ALDH1A1 (0.47) ALDH1A1TDP1KDM4EMAPTMEN1
SCHEMBL28858385 0.73 PABPC1 (0.50) ALDH1A1TDP1KDM4EMAPTTSHR
SCHEMBL22562123 0.72 CDC25B (0.50) ALDH1A1TDP1CTSDKDM4EMAPT
SCHEMBL6929649 0.70 CDC25B (0.50) ALDH1A1TDP1KDM4EMAPTMEN1
SCHEMBL14048634 0.68 RAB9A (0.57) ALDH1A1TDP1KDM4EMAPTMEN1
SCHEMBL7915013 0.67 ALDH1A1 (0.67) ALDH1A1TDP1CTSDKDM4EMAPT
SCHEMBL11775136 0.66 ALDH1A1 (0.42) ALDH1A1TDP1KDM4EMAPTMEN1
SCHEMBL21468310 0.66 MEN1 (0.63) ALDH1A1TDP1KDM4EMAPTMEN1
SCHEMBL28976146 0.66 ALDH1A1 (0.53) ALDH1A1TDP1CTSDKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11034839-B2 Compounds, linked with haptens, for the detection of senescent cells THE UNIVERSITY OF MANCHESTER (GB) 2021-06-15 US disclosed
US-20190225812-A1 COMPOUNDS, LINKED WITH HAPTENS, FOR THE DETECTION OF SENESCENT CELLS THE UNIVERSITY OF MANCHESTER (GB) 2019-07-25 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-20190225812-A1 COMPOUNDS, LINKED WITH HAPTENS, FOR THE DETECTION OF SENESCENT CELLS CCNB1, LMNB1, S100B ALDH1A1 906/4885TDP1 1104/4885CTSD 2753/4885
US-11034839-B2 Compounds, linked with haptens, for the detection of senescent cells CCNB1, LMNB1, S100B ALDH1A1 906/4885TDP1 1104/4885CTSD 2753/4885

“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.