SCHEMBL21531022

SCHEMBL21531022

CN(C)CCCCNC(=O)c1ccc(Br)cn1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.55
ALDH1A1 P00352 3/20 0.55
ALOX15 P16050 1/20 0.54
POLB P06746 1/20 0.53
MALT1 Q9UDY8 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CYP1A2 P05177 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HPGD P15428 1/20 0.46
SSTR2 P30874 1/20 0.45
SSTR4 P31391 1/20 0.45
LMNA P02545 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL21531020 0.97 KDM4E (0.58) KDM4EALDH1A1ALOX15POLBMALT1
SCHEMBL21531034 0.90 CYP1A2 (0.57) KDM4EALDH1A1ALOX15POLBMALT1
SCHEMBL30074568 0.84 ALOX15 (0.54) KDM4EALOX15POLBMALT1NPC1
SCHEMBL30074604 0.84 ALOX15 (0.54) KDM4EALDH1A1ALOX15POLBMALT1
SCHEMBL30074637 0.84 ALOX15 (0.54) KDM4EALDH1A1ALOX15POLBMALT1
SCHEMBL21531037 0.84 ALOX15 (0.54) KDM4EALOX15POLBMALT1NPC1
SCHEMBL27106687 0.83 MEN1 (0.50) KDM4EALDH1A1POLBNPC1RAB9A
SCHEMBL20460424 0.83 KMT2A (0.52) KDM4EALDH1A1POLBNPC1RAB9A
SCHEMBL30074585 0.83 ALOX15 (0.53) KDM4EALDH1A1ALOX15POLBMALT1
SCHEMBL30074623 0.83 ALOX15 (0.53) KDM4EALDH1A1ALOX15POLBMALT1

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-11504439-B2 Radioactive compound for diagnosis of malignant melanoma and use thereof INDUSTRY FOUNDATION OF CHONNAM NATIONAL UNIVERSITY (KR) 2022-11-22 US disclosed
EP-3569589-A1 RADIOACTIVE COMPOUND FOR DIAGNOSIS OF MALIGNANT MELANOMA AND USE THEREOF Industry Foundation of Chonnam National University (KR) 2019-11-20 EP disclosed
US-20190336621-A1 RADIOACTIVE COMPOUND FOR DIAGNOSIS OF MALIGNANT MELANOMA AND USE THEREOF INDUSTRY FOUNDATION OF CHONNAM NATIONAL UNIVERSITY (KR) 2019-11-07 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-20190336621-A1 RADIOACTIVE COMPOUND FOR DIAGNOSIS OF MALIGNANT MELANOMA AND USE THEREOF MITF, BRAF, MEN1 KDM4E 767/4885ALDH1A1 1207/4885ALOX15 3399/4885
US-11504439-B2 Radioactive compound for diagnosis of malignant melanoma and use thereof MITF, BRAF, MEN1 KDM4E 767/4885ALDH1A1 1207/4885ALOX15 3399/4885

“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.