SCHEMBL6539258

SCHEMBL6539258

N#Cc1ccc(N2CCN(c3ccc(N4CCOCC4)cc3)CC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.67
TP53 P04637 2/20 0.67
AR P10275 1/20 0.57
MAPT P10636 5/20 0.56
HTT P42858 3/20 0.56
LMNA P02545 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
NSD2 O96028 1/20 0.56
TSHR P16473 1/20 0.56
CASP1 P29466 1/20 0.56
CASP7 P55210 1/20 0.56
CASP6 P55212 1/20 0.56
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
ALDH1A1 P00352 5/20 0.53
JAK2 O60674 1/20 0.52
CHRNA10 Q9GZZ6 1/20 0.51
CHRNA9 Q9UGM1 1/20 0.51
PRKDC P78527 2/20 0.50
SLC6A9 P48067 1/20 0.50

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
SCHEMBL39646 0.98 KDM4E (0.63) KDM4ETP53ARMAPTHTT
SCHEMBL8013756 0.96 KDM4E (0.61) KDM4ETP53ARMAPTHTT
SCHEMBL8010105 0.96 KDM4E (0.61) KDM4ETP53ARMAPTHTT
SCHEMBL2384959 0.89 KDM4E (0.80) KDM4ETP53ALDH1A1CHRNA10CHRNA9
SCHEMBL6065393 0.89 KDM4E (0.80) KDM4ETP53ARMAPTHTT
SCHEMBL18409046 0.88 KDM4E (0.53) KDM4ETP53ARMAPTHTT
SCHEMBL12635872 0.88 ALDH1A1 (0.65) KDM4ETP53ARMAPTHTT
SCHEMBL7989190 0.81 L3MBTL3 (0.54) KDM4ETP53ARMEN1
SCHEMBL154178 0.81 KDM4E (0.68) KDM4ETP53MAPTHTTLMNA
SCHEMBL7402909 0.81 KDM4E (0.68) KDM4ETP53MAPTHTTLMNA

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-6743776-B2 ANTIFUNGAL, BETA-1,3-GLUCAN SYNTHASE INHIBITOR, PNEUMOCYSTIS CARINII; AMIDATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-01 US disclosed
US-20020193560-A1 CYCLOHEXAPEPTIDES HAVING ANTIMICROBIAL ACTIVITY ASTELLAS PHARMA INC. (JP) 2002-12-19 US disclosed
EP-0941236-A1 CYCLOHEXAPEPTIDES HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-09-15 EP disclosed
WO-1998023637-A1 CYCLOHEXAPEPTIDES HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-04 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-20020193560-A1 CYCLOHEXAPEPTIDES HAVING ANTIMICROBIAL ACTIVITY NGLY1, CHIT1, MANBA KDM4E 4695/4885TP53 3997/4885AR 4086/4885

“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.