SCHEMBL14477013

SCHEMBL14477013

Nc1ccc2c(c1)Oc1c(ccc3cccc(N)c13)C21OC(=O)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
FTO Q9C0B1 3/20 0.49
MAPT P10636 3/20 0.49
HTT P42858 2/20 0.49
RECQL P46063 2/20 0.49
BLM P54132 2/20 0.49
PRMT1 Q99873 2/20 0.49
ACE2 Q9BYF1 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
HPGD P15428 1/20 0.49
CYP2C19 P33261 1/20 0.49
SMAD3 P84022 1/20 0.49
POLB P06746 2/20 0.45
CYP3A4 P08684 1/20 0.44
GNG2 P59768 1/20 0.44
GNB1 P62873 1/20 0.44
LMNA P02545 3/20 0.43
USP2 O75604 2/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL14477017 0.89 MAPT (0.53) MEN1KMT2AFTOMAPTHTT
SCHEMBL14477005 0.89 FTO (0.65) MEN1KMT2AFTOMAPTHTT
SCHEMBL14477023 0.89 GNG2 (0.54) MEN1KMT2AFTOMAPTHTT
SCHEMBL19657366 0.88 MEN1 (0.46) MEN1KMT2AFTOMAPTHTT
SCHEMBL14477002 0.87 GNG2 (0.45) MEN1KMT2AFTOMAPTHTT
SCHEMBL19657379 0.87 CYP3A4 (0.45) MEN1KMT2AFTOMAPTHTT
SCHEMBL8918610 0.82 FTO (0.69) MEN1KMT2AFTOMAPTHTT
SCHEMBL17037009 0.80 FTO (0.66) MEN1KMT2AFTOMAPTHTT
SCHEMBL29583321 0.79 FTO (0.62) MEN1KMT2AFTOMAPTHTT
SCHEMBL21708060 0.79 FTO (0.62) MEN1KMT2AFTOMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11191850-B2 Molecular probes for detection and imaging of pancreatic cancer PORTLAND STATE UNIVERSITY (US) 2021-12-07 US disclosed
EP-3464293-B1 MOLECULAR PROBES FOR DETECTION AND IMAGING OF PANCREATIC CANCER UNIV PORTLAND STATE (US) 2021-06-23 EP disclosed
US-20200330612-A1 MOLECULAR PROBES FOR DETECTION AND IMAGING OF PANCREATIC CANCER PORTLAND STATE UNIVERSITY (US) 2020-10-22 US disclosed
US-9958451-B2 Near-infrared fluorescent dyes with large stokes shifts PORTLAND STATE UNIVERSITY (US) 2018-05-01 US disclosed
US-9958451-B2 Near-infrared fluorescent dyes with large stokes shifts PORTLAND STATE UNIVERSITY (US) 2018-05-01 US disclosed
WO-2017205350-A1 MOLECULAR PROBES FOR DETECTION AND IMAGING OF PANCREATIC CANCER PORTLAND STATE UNIVERSITY (US) 2017-11-30 WO disclosed
US-20160154001-A1 NEAR-INFRARED FLUORESCENT DYES WITH LARGE STOKES SHIFTS PORTLAND STATE UNIVERSITY (US) 2016-06-02 US disclosed
US-20160154001-A1 NEAR-INFRARED FLUORESCENT DYES WITH LARGE STOKES SHIFTS PORTLAND STATE UNIVERSITY (US) 2016-06-02 US disclosed
US-9250246-B2 Near-infrared fluorescent dyes with large stokes shifts PORTLAND STATE UNIVERSITY (US) 2016-02-02 US disclosed
US-9250246-B2 Near-infrared fluorescent dyes with large stokes shifts PORTLAND STATE UNIVERSITY (US) 2016-02-02 US disclosed
US-20140120628-A1 NEAR-INFRARED FLUORESCENT DYES WITH LARGE STOKES SHIFTS THE OREGON STATE BOARD OF HIGHER EDUCATION ON BEHALF OF PORTLAND STATE UNIVERSITY (US) 2014-05-01 US disclosed
US-20140120628-A1 NEAR-INFRARED FLUORESCENT DYES WITH LARGE STOKES SHIFTS THE OREGON STATE BOARD OF HIGHER EDUCATION ON BEHALF OF PORTLAND STATE UNIVERSITY (US) 2014-05-01 US disclosed
WO-2013003815-A2 NEAR-INFRARED FLUORESCENT DYES WITH LARGE STOKES SHIFTS THE OREGON STATE BOARD OF HIGHER EDUCATION ON BEHALF OF PORTLAND STATE UNIVERSITY (US) 2013-01-03 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 (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-20200330612-A1 MOLECULAR PROBES FOR DETECTION AND IMAGING OF PANCREATIC CANCER RNASE1, AMY2A, ANXA4 MEN1 1072/4885KMT2A 2406/4885FTO 3958/4885
US-11191850-B2 Molecular probes for detection and imaging of pancreatic cancer RNASE1, AMY2A, ANXA4 MEN1 1072/4885KMT2A 2406/4885FTO 3958/4885

“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.