SCHEMBL3874529

SCHEMBL3874529

O=C(O)c1ccc(-n2nccc2C(F)(F)F)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.59
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HPGD P15428 2/20 0.43
MAPT P10636 2/20 0.43
USP2 O75604 1/20 0.43
TSHR P16473 1/20 0.43
PTGS2 P35354 2/20 0.42
SRD5A2 P31213 1/20 0.42
HSD11B1 P28845 1/20 0.42
XDH P47989 2/20 0.41
PLA2G10 O15496 1/20 0.41
NPC1 O15118 1/20 0.41
HSP90AA1 P07900 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
POLB P06746 2/20 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
SCHEMBL1285438 0.86 KDM4E (0.49) KDM4ESMN1; SMN2PTGS2NTRK1
SCHEMBL598084 0.80 KDM4E (0.50) KDM4EPTGS2POLBNTRK1
SCHEMBL4988967 0.79 KDM4E (0.56) KDM4ESMN1; SMN2MEN1KMT2AMAPT
SCHEMBL15729579 0.78 XDH (0.44) KDM4ESMN1; SMN2MEN1KMT2AHPGD
SCHEMBL3875037 0.78 KDM4E (0.65) KDM4EMEN1KMT2ANPC1RAB9A
SCHEMBL4882306 0.78 KDM4E (0.48) KDM4EMEN1KMT2APTGS2
SCHEMBL24303668 0.76 KDM4E (0.47) KDM4ESMN1; SMN2MEN1KMT2AHPGD
SCHEMBL4886599 0.76 KDM4E (0.47) KDM4ESMN1; SMN2MAPTTSHRPTGS2
SCHEMBL3874906 0.75 KDM4E (0.61) KDM4ESMN1; SMN2MAPTUSP2NPC1
SCHEMBL3876296 0.74 PTGS1 (0.60) KDM4ENPC1RAB9ANTRK1

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-7595332-B2 Amides that inhibit vanilloid receptor subtype 1 (VR1) ABBOTT LABORATORIES (US) 2009-09-29 US disclosed
US-20060122231-A1 Amides that inhibit vanilloid receptor subtype 1 (VR1) ABBVIE INC. 2006-06-08 US disclosed
US-7037927-B2 Amides that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBOTT LABORATORIES (US) 2006-05-02 US disclosed
US-20050085512-A1 Amides that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBVIE INC. 2005-04-21 US 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 (2 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-20060122231-A1 Amides that inhibit vanilloid receptor subtype 1 (VR1) TRPV1, OPRL1, AVPR2 KDM4E 3823/4885SMN1; SMN2 2485/4885MEN1 4791/4885
US-20050085512-A1 Amides that inhibit vanilloid receptor subtype 1 (VR1) receptor TRPV1, OPRL1, AVPR1A KDM4E 3659/4885SMN1; SMN2 2515/4885MEN1 4787/4885

“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.