SCHEMBL4885748

SCHEMBL4885748

O=C(NN=C(C=NO)c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 2/20 0.48
TACR1 P25103 1/20 0.46
LMNA P02545 4/20 0.44
KMT2A Q03164 4/20 0.44
KDM4E B2RXH2 3/20 0.44
PTBP1 P26599 2/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 5/20 0.42
RHOC P08134 2/20 0.42
RHOA P61586 2/20 0.42
CES2 O00748 1/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
MEN1 O00255 3/20 0.41
KCNK3 O14649 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 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
SCHEMBL4885958 0.91 LMNA (0.54) P2RX1LMNAKMT2AKDM4EPTBP1
SCHEMBL4885965 0.91 LMNA (0.54) P2RX1LMNAKMT2AKDM4EPTBP1
SCHEMBL4883201 0.90 RAB9A (0.49) P2RX1LMNAKMT2AKDM4ESMN1; SMN2
SCHEMBL4883196 0.90 RAB9A (0.49) P2RX1LMNAKMT2AKDM4ESMN1; SMN2
SCHEMBL4885989 0.83 KCNK3 (0.47) LMNAKMT2AKDM4EPTBP1HTT
SCHEMBL4885991 0.83 KCNK3 (0.47) LMNAKMT2AKDM4EPTBP1HTT
SCHEMBL5715919 0.83 NPC1 (0.53) KMT2AKDM4ESMN1; SMN2POLBTDP1
SCHEMBL5715915 0.83 NPC1 (0.53) KMT2AKDM4ESMN1; SMN2POLBTDP1
SCHEMBL4876259 0.80 KMT2A (0.48) LMNAKMT2AKDM4EPTBP1HTT
SCHEMBL4882188 0.80 MAPT (0.48) P2RX1LMNAKMT2AKDM4EPTBP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080227787-A1 Use of New Lipoxygenase Inhibitors BIOLIPOX AB (SE) 2008-09-18 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 (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-20080227787-A1 Use of New Lipoxygenase Inhibitors ALOX15, ALOX15B, ALOX12 P2RX1 790/4885TACR1 1052/4885LMNA 2096/4885

“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.