SCHEMBL6582679

SCHEMBL6582679

c1ccc2c(c1)CNCCN2Cc1c[nH]cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.39
ALDH1A1 P00352 6/20 0.36
MEN1 O00255 3/20 0.36
ALOX15 P16050 3/20 0.36
KMT2A Q03164 3/20 0.36
TRPM5 Q9NZQ8 1/20 0.36
USP2 O75604 1/20 0.36
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
CXCR4 P61073 2/20 0.36
TRPV1 Q8NER1 4/20 0.34
KDM4E B2RXH2 3/20 0.33
MAPT P10636 2/20 0.33
GAA P10253 2/20 0.33
CASP1 P29466 2/20 0.33
PKM P14618 1/20 0.33
NR4A1 P22736 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL3501148 0.85 FNTA (0.35) ALDH1A1MEN1ALOX15KMT2AKDM4E
SCHEMBL30206854 0.83 ALDH1A1 (0.56) TAAR1ALDH1A1MEN1ALOX15KMT2A
SCHEMBL21071359 0.81 DDB1 (0.47) TAAR1ALDH1A1MEN1ALOX15KMT2A
SCHEMBL4828614 0.81 TAAR1 (0.56) TAAR1ALDH1A1MEN1ALOX15KMT2A
SCHEMBL12404795 0.78 EPHX2 (0.34) TAAR1ALDH1A1MEN1KMT2ATRPM5
Hydrochloric Acid SCHEMBL5849987 0.76 SIGMAR1 (0.50) ALDH1A1MEN1ALOX15KMT2AUSP2
SCHEMBL12404781 0.75 BRD4 (0.35) TAAR1ALDH1A1MEN1ALOX15KMT2A
SCHEMBL14106010 0.75 DDB1 (0.32) HTR2C
SCHEMBL18322642 0.72 ALDH1A1 (0.42) ALDH1A1MEN1ALOX15KMT2AUSP2
SCHEMBL2962004 0.72 MEN1 (0.42) ALDH1A1MEN1ALOX15KMT2AUSP2

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-20040138207-A1 Anticancer agents; side effect reduction ASTELLAS PHARMA INC. (JP) 2004-07-15 US disclosed
EP-1391203-A1 ANTITUMOR AGENTS YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2004-02-25 EP 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-20040138207-A1 Anticancer agents; side effect reduction MKI67, TPMT, PBRM1 TAAR1 1968/4885ALDH1A1 505/4885MEN1 3014/4885

“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.