SCHEMBL6734765

SCHEMBL6734765

Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1nnnc1-c1cccc(Br)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 2/20 0.40
KCNA3 P22001 2/20 0.40
TSHR P16473 4/20 0.39
LMNA P02545 3/20 0.39
CYP1A2 P05177 3/20 0.39
CYP2C9 P11712 3/20 0.39
CYP2C19 P33261 3/20 0.39
SLC6A2 P23975 2/20 0.39
GLA P06280 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
TP53 P04637 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALOX15 P16050 2/20 0.39
MAPK1 P28482 2/20 0.39
HTT P42858 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 2/20 0.39

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
SCHEMBL6735303 0.87 KCNN4 (0.42) KCNN4KCNA3TSHRLMNACYP1A2
SCHEMBL6732605 0.81 SLC6A2 (0.42) KCNN4KCNA3TSHRLMNACYP1A2
SCHEMBL6735541 0.77 KCNN4 (0.41) KCNN4KCNA3TSHRLMNACYP1A2
SCHEMBL976147 0.73 LMNA (0.47) TSHRLMNASMN1; SMN2ALOX15HTT
SCHEMBL7611179 0.72 MAOA (0.43) TSHRLMNAGLATP53RAB9A
SCHEMBL9447398 0.70 AGTR1 (0.36) TSHRLMNANPSR1TP53RAB9A
SCHEMBL3880938 0.70 ALDH1A1 (0.49) KCNN4KCNA3LMNASLC6A2RAB9A
SCHEMBL5822691 0.70 ALDH1A1 (0.60) TSHRLMNACYP1A2CYP2C9CYP2C19
SCHEMBL9057649 0.69 KCNJ1 (0.42) TSHRLMNASMN1; SMN2L3MBTL1MEN1
SCHEMBL4666295 0.69 MGLL (0.47) TSHRLMNASLC6A2NPSR1RAB9A

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 KCNN4 1064/4885KCNA3 3397/4885TSHR 2768/4885
US-20030225288-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 KCNN4 1064/4885KCNA3 3397/4885TSHR 2768/4885
US-20040122026-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 KCNN4 1064/4885KCNA3 3397/4885TSHR 2768/4885

“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.