SCHEMBL6840138

SCHEMBL6840138

Cc1cccc2c1nc(C(F)(F)F)c1nc(-c3cccs3)n(CCC3CCNCC3)c12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 1/20 0.35
HTR6 P50406 1/20 0.33
GAA P10253 2/20 0.33
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
PLAUR Q03405 1/20 0.32
TP53 P04637 1/20 0.32
KDM4E B2RXH2 6/20 0.31
ALDH1A1 P00352 6/20 0.31
HPGD P15428 4/20 0.31
TSHR P16473 2/20 0.31
HSD17B10 Q99714 2/20 0.31
LMNA P02545 1/20 0.31
PBK Q96KB5 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PKM P14618 1/20 0.31
HDAC3 O15379 1/20 0.31

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
SCHEMBL6840109 0.88 KDM4E (0.38) NPY1RGAAPLAURTP53KDM4E
SCHEMBL6838712 0.87 HTR6 (0.37) HTR6GAAMGAMSIMGAM2
SCHEMBL6838056 0.86 SSTR4 (0.37) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6838673 0.86 NPY1R (0.36) NPY1RPARP2PARP1PARP14
SCHEMBL6837707 0.85 MERTK (0.37) NPY1RKDM4EALDH1A1HPGDTSHR
SCHEMBL6840088 0.84 MAPT (0.35) HTR6GAATP53KDM4EALDH1A1
SCHEMBL6838649 0.83 NPY1R (0.38) NPY1RPARP2PARP1PARP14SLC6A4
SCHEMBL6838733 0.83 CCR3 (0.33) NPY1RHTR6GAATP53KDM4E
SCHEMBL6838630 0.82 NPY1R (0.35) NPY1RGAATP53KDM4EALDH1A1
SCHEMBL6838050 0.82 HTR6 (0.38) NPY1RHTR6KDM4EALDH1A1HPGD

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-20040054182-A1 1h-imidazopyridine derivatives HOKURIKU SEIYAKU CO., LTD. (JP) 2004-03-18 US disclosed
EP-1256582-A1 1H-IMIDAZOPYRIDINE DERIVATIVES HOKURIKU SEIYAKU CO., LTD. (JP) 2002-11-13 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-20040054182-A1 1h-imidazopyridine derivatives IL2, IL1A, IL4 NPY1R 1070/4885HTR6 3067/4885GAA 4342/4885

“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.