SCHEMBL6735190

SCHEMBL6735190

Cc1c(N)cccc1CN1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 2/20 0.51
POLB P06746 1/20 0.51
KMT2A Q03164 3/20 0.51
TSHR P16473 2/20 0.51
MEN1 O00255 2/20 0.51
CYP3A4 P08684 1/20 0.43
PIK3CA P42336 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
ACHE P22303 2/20 0.42
HRH3 Q9Y5N1 1/20 0.42
CHRNA7 P36544 1/20 0.41
PRMT6 Q96LA8 1/20 0.41

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
SCHEMBL309875 0.85 LMNA (0.49) ALDH1A1KDM4EPOLBKMT2ATSHR
SCHEMBL21416735 0.83 LMNA (0.59) TSHRCYP3A4PIK3CACYP2D6SIGMAR1
SCHEMBL3722909 0.83 CYP2A13 (0.61) ALDH1A1KDM4EKMT2AMEN1CYP3A4
SCHEMBL13293671 0.82 ALDH1A1 (0.54) ALDH1A1KDM4EPOLBKMT2ATSHR
SCHEMBL2912056 0.82 ALDH1A1 (0.61) ALDH1A1KDM4EPOLBKMT2AMEN1
SCHEMBL21400926 0.80 KMT2A (0.53) ALDH1A1KDM4EPOLBKMT2ATSHR
SCHEMBL1641681 0.80 ALDH1A1 (0.58) ALDH1A1KDM4EPOLBKMT2AMEN1
SCHEMBL18190467 0.79 ALDH1A1 (0.51) ALDH1A1KDM4EPOLBKMT2ATSHR
SCHEMBL10315553 0.79 ALDH1A1 (0.59) ALDH1A1KDM4EPOLBCYP2D6CYP2C19
SCHEMBL30341017 0.79 ALDH1A1 (0.69) ALDH1A1KDM4EPOLBKMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040127507-A1 Imidazolidine compounds MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-07-01 US disclosed
US-20040122026-A1 Imidazolidine compounds MILLENNIUM PHARMACEUTICALS, INC. 2004-06-24 US disclosed
US-20030225288-A1 Imidazolidine compounds MILLENNIUM PHARMACEUTICALS, INC. 2003-12-04 US disclosed
WO-2003087063-A1 IMIDAZOLIDINE COMPOUNDS AS CHEMOKINE RECEPTOR MODULATORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-10-23 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 (3 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-20040127507-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 ALDH1A1 569/4885KDM4E 4423/4885POLB 3185/4885
US-20030225288-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 ALDH1A1 569/4885KDM4E 4423/4885POLB 3185/4885
US-20040122026-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 ALDH1A1 569/4885KDM4E 4423/4885POLB 3185/4885

“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.