SCHEMBL14754451

SCHEMBL14754451

Cc1scnc1-c1ccc(OC(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
ALDH1A1 P00352 4/20 0.50
RAB9A P51151 3/20 0.50
GAA P10253 2/20 0.50
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
DRD1 P21728 1/20 0.40
MAT2A P31153 1/20 0.38
F2RL3 Q96RI0 1/20 0.36
MAPK1 P28482 2/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PTGER4 P35408 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
KIT P10721 2/20 0.34
SCN5A Q14524 1/20 0.34
PDE2A O00408 1/20 0.33

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
SCHEMBL28294090 0.77 NQO1 (0.48) MAPTALDH1A1RAB9AHPGDMEN1
SCHEMBL14304002 0.75 PTGS2 (0.40) ALDH1A1RAB9AADORA2AADORA1
SCHEMBL13300837 0.75 SMN1; SMN2 (0.40) MAPTALDH1A1GAAADORA2AADORA1
SCHEMBL19626483 0.74 ALDH1A1 (0.64) MAPTALDH1A1RAB9AGAAADORA2A
SCHEMBL17626142 0.73 ALDH1A1 (0.49) MAPTALDH1A1RAB9AGAAADORA2A
SCHEMBL28494521 0.72 ESR1 (0.39) MAPTRAB9AADORA2AADORA1MAPK1
SCHEMBL10280239 0.72 FFAR4 (0.40) RAB9AGAAADORA2AADORA1NPC1
SCHEMBL6511715 0.72 IDO1 (0.40) MAPTALDH1A1RAB9AGAAADORA2A
SCHEMBL2089600 0.71 KDM4E (0.40) MAPTALDH1A1RAB9AADORA1MAPK1
SCHEMBL27434319 0.71 CYP2A6 (0.47) MAPTALDH1A1RAB9AGAAADORA2A

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
CN-109776537-A Purinedione as WNT pathway modulators 新加坡科技研究局 2019-05-21 CN disclosed
EP-3184527-A1 2,6-DIOXO,-2,3-DIHYDRO-1H-PURINE COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO THE ACTIVITY OF THE TRPA1 CHANNEL Hydra Biosciences, Inc. (US) 2017-06-28 EP disclosed
US-20130303521-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES HYDRA BIOSCIENCES, INC (US) 2013-11-14 US disclosed
US-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS HYDRA BIOSCIENCES, INC. 2013-03-07 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-20130303521-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 MAPT 2844/4885ALDH1A1 1104/4885RAB9A 1580/4885
US-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 MAPT 568/4885ALDH1A1 968/4885RAB9A 2306/4885

“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.