SCHEMBL3226920

SCHEMBL3226920

CN(CCCN1CCOCC1)c1ccc(Br)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPK1 P28482 2/20 0.41
HRH3 Q9Y5N1 2/20 0.41
CYP1A2 P05177 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
HTR2A P28223 1/20 0.41
SCN1A P35498 1/20 0.41
HTR2B P41595 1/20 0.41
KCNH2 Q12809 1/20 0.41
SCN2A Q99250 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
SCN3A Q9NY46 1/20 0.41
HTR7 P34969 1/20 0.40
GBA1 P04062 1/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL2327400 0.80 SIGMAR1 (0.50) KDM4EALDH1A1HRH3SIGMAR1GBA1
SCHEMBL3104431 0.79 TLR9 (0.41) HRH3HTR7
SCHEMBL3104319 0.77 NPSR1 (0.44) TSHRKDM4ESMN1; SMN2ALDH1A1MAPK1
SCHEMBL14568612 0.76 LCK (0.48) TSHRALDH1A1MAPK1HTR7LMNA
SCHEMBL3388981 0.76 SMYD3 (0.42) TSHRKDM4EALDH1A1MAPK1HRH3
SCHEMBL5237488 0.75 GBA1 (0.60) KDM4ESMN1; SMN2ALDH1A1HRH3GBA1
SCHEMBL2256335 0.74 GBA1 (0.51) HRH3CYP1A2GBA1EGFRSSTR2
SCHEMBL31217157 0.74 GBA1 (0.56) KDM4ESMN1; SMN2MAPK1GBA1EGFR
SCHEMBL21813123 0.74 TSHR (0.50) TSHRKDM4ESMN1; SMN2ALDH1A1HRH3
SCHEMBL10653784 0.73 GBA1 (0.57) SMN1; SMN2ALDH1A1HRH3GBA1EGFR

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-20100144712-A1 TRIAZOLE DERIVATIVES HAVING ANTIFUNGAL ACTIVITY, METHOD FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-06-10 US disclosed
EP-2167490-A1 TRIAZOLE DERIVATIVES HAVING ANTIFUNGAL ACTIVITY, METHOD FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Korea Research Institute Of Chemical Technology (KR) 2010-03-31 EP disclosed
WO-2008153325-A1 TRIAZOLE DERIVATIVES HAVING ANTIFUNGAL ACTIVITY, METHOD FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-12-18 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 (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-20100144712-A1 TRIAZOLE DERIVATIVES HAVING ANTIFUNGAL ACTIVITY, METHOD FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CYP51A1, ERG28, CYP3A7 TSHR 3394/4885KDM4E 4003/4885SMN1; SMN2 3795/4885

“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.