SCHEMBL12832006

SCHEMBL12832006

Cc1ccn2cc(C(F)F)nc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.53
TP53 P04637 1/20 0.53
RAB9A P51151 12/20 0.49
KDM4E B2RXH2 11/20 0.49
NPC1 O15118 11/20 0.49
ALDH1A1 P00352 7/20 0.48
POLB P06746 4/20 0.48
TDP1 Q9NUW8 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PKM P14618 3/20 0.47
GAA P10253 2/20 0.46
HPGD P15428 2/20 0.46
GFER P55789 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPT P10636 4/20 0.41
SUV39H2 Q9H5I1 1/20 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
SCHEMBL10022340 0.84 SMN1; SMN2 (0.54) SMN1; SMN2TP53RAB9AKDM4ENPC1
SCHEMBL20023741 0.81 SMN1; SMN2 (0.51) SMN1; SMN2TP53RAB9AKDM4ENPC1
SCHEMBL12758858 0.80 TP53 (0.33) SMN1; SMN2TP53RAB9AKDM4ENPC1
SCHEMBL1426320 0.79 KDM4E (0.39) SMN1; SMN2TP53RAB9AKDM4ENPC1
SCHEMBL20985962 0.79 TLR9 (0.46) SMN1; SMN2TP53RAB9ANPC1CYP1A2
SCHEMBL26611347 0.76 KDM4E (0.56) SMN1; SMN2TP53RAB9AKDM4ENPC1
SCHEMBL434154 0.76 SMN1; SMN2 (0.61) SMN1; SMN2TP53RAB9AKDM4ENPC1
Hydrochloric Acid SCHEMBL6544490 0.74 SMN1; SMN2 (0.59) SMN1; SMN2TP53RAB9AKDM4ENPC1
SCHEMBL18569907 0.73 SMN1; SMN2 (0.57) SMN1; SMN2TP53RAB9AKDM4ENPC1
SCHEMBL8811617 0.73 SMN1; SMN2 (0.57) SMN1; SMN2TP53RAB9AKDM4ENPC1

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-20110071129-A1 SPIRODIAMINE-DIARYL KETOXIME DERIVATIVE MSD K.K. (JP) 2011-03-24 US disclosed
WO-2010147234-A1 DIARYLAMIDE-SPIRODIAMINE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-12-23 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-20110071129-A1 SPIRODIAMINE-DIARYL KETOXIME DERIVATIVE MCHR2, MCHR1, ADRB2 SMN1; SMN2 2582/4885TP53 4820/4885RAB9A 1603/4885

“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.