Sugi Predict

Sugi Predict / Compounds / SCHEMBL3414969

SCHEMBL3414969

SCHEMBL3414969

O=C(NCc1ccc(F)c(C(F)(F)F)c1)c1cc(-c2cc(Cl)c(O)c(Cl)c2)n[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.49
▸ P2RX7 Q99572 4/20 0.48
▸ HDAC3 O15379 1/20 0.48
▸ HDAC4 P56524 1/20 0.48
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC7 Q8WUI4 1/20 0.48
▸ HDAC2 Q92769 1/20 0.48
▸ HDAC10 Q969S8 1/20 0.48
▸ HDAC11 Q96DB2 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ HDAC9 Q9UKV0 1/20 0.48
▸ HDAC5 Q9UQL6 1/20 0.48
▸ NCOR2 Q9Y618 1/20 0.48
▸ TP53 P04637 2/20 0.47
▸ GSK3B P49841 1/20 0.46
▸ POLB P06746 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ PTPN7 P35236 1/20 0.43
▸ DUSP3 P51452 1/20 0.43

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
SCHEMBL3413453 0.83 MAPT (0.54) MAPTP2RX7HDAC3HDAC4HDAC1
SCHEMBL3414332 0.79 PPARG (0.56) MAPTHDAC3HDAC4HDAC1HDAC7
SCHEMBL3409157 0.78 MAPT (0.60) MAPTTP53MAPK1
SCHEMBL692237 0.77 PTPN7 (0.42) P2RX7MAPK1PTPN7DUSP3
SCHEMBL3247134 0.77 P2RX7 (0.41) P2RX7HDAC1HDAC6TP53PTPN7
SCHEMBL1114346 0.77 SMN1; SMN2 (0.51) MAPTP2RX7HDAC4HDAC1HDAC6
SCHEMBL2213496 0.73 P2RX7 (0.42) P2RX7PTPN7DUSP3
SCHEMBL13812912 0.71 TMPRSS4 (0.68) P2RX7PTPN7DUSP3
SCHEMBL3241322 0.70 MAOB (0.45) GSK3BMAPK1PPARG
SCHEMBL27913650 0.69 L3MBTL1 (0.62) P2RX7HDAC1PTPN7DUSP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8343976-B2 Compounds, compositions and methods comprising pyrazole derivatives INSTITUTE FOR ONEWORLD HEALTH (US) 2013-01-01 — — US claimed
US-20100267741-A1 Compounds, Compositions and Methods Comprising Pyrazole Derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-10-21 — — US claimed
US-8343976-B2 Compounds, compositions and methods comprising pyrazole derivatives INSTITUTE FOR ONEWORLD HEALTH (US) 2013-01-01 — — US disclosed
US-8343976-B2 Compounds, compositions and methods comprising pyrazole derivatives INSTITUTE FOR ONEWORLD HEALTH (US) 2013-01-01 — — US disclosed
US-8343976-B2 Compounds, compositions and methods comprising pyrazole derivatives INSTITUTE FOR ONEWORLD HEALTH (US) 2013-01-01 — — US disclosed
US-20100267741-A1 Compounds, Compositions and Methods Comprising Pyrazole Derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-10-21 — — US disclosed
US-20100267741-A1 Compounds, Compositions and Methods Comprising Pyrazole Derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-10-21 — — US disclosed
US-20100267741-A1 Compounds, Compositions and Methods Comprising Pyrazole Derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-10-21 — — 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 (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-20100267741-A1 Compounds, Compositions and Methods Comprising Pyrazole Derivatives CFTR, PKD2, PKD1 MAPT 4806/4885P2RX7 96/4885HDAC3 976/4885

“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.