SCHEMBL20639675

SCHEMBL20639675

OC(c1ccc(N2CCN(c3ccc(Br)cc3)CC2)nc1)C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OGA O60502 5/20 0.54
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
IGF1R P08069 7/20 0.44
AKR1C3 P42330 1/20 0.41
PANK3 Q9H999 2/20 0.41
KMT2A Q03164 1/20 0.38
ROCK2 O75116 1/20 0.36
CYP3A4 P08684 1/20 0.36
GPR119 Q8TDV5 1/20 0.36

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
SCHEMBL20639760 0.85 IGF1R (0.54) OGAMAPTIGF1RAKR1C3KMT2A
SCHEMBL2421281 0.82 OGA (0.58) OGAMAPTPANK3
SCHEMBL20644614 0.79 OGA (0.48) OGAMAPTSMN1; SMN2PANK3KMT2A
SCHEMBL30270206 0.79 OGA (0.48) OGAMAPTSMN1; SMN2PANK3KMT2A
SCHEMBL3605635 0.79 OGA (0.55) OGAPANK3CYP3A4GPR119
SCHEMBL20639973 0.78 MAPT (0.35) OGAMAPTSMN1; SMN2IGF1RAKR1C3
SCHEMBL30269980 0.78 MAPT (0.35) OGAMAPTSMN1; SMN2IGF1RAKR1C3
SCHEMBL30270057 0.77 IGF1R (0.41) MAPTSMN1; SMN2IGF1RAKR1C3
SCHEMBL20639770 0.77 IGF1R (0.41) MAPTSMN1; SMN2IGF1RAKR1C3
SCHEMBL20639946 0.75 IGF1R (0.52) MAPTSMN1; SMN2IGF1RAKR1C3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3397629-B1 METALLOENZYME INHIBITOR COMPOUNDS NQP 1598 LTD (KY) 2023-04-19 EP disclosed
EP-3397629-B1 METALLOENZYME INHIBITOR COMPOUNDS NQP 1598 LTD (KY) 2023-04-19 EP disclosed
CN-108779094-B Metalloenzyme inhibitor compounds NQP 1598公司 2021-11-16 CN disclosed
US-10464922-B2 Metalloenzyme inhibitor compounds NQP 1598, LTD. (US) 2019-11-05 US disclosed
US-20190016700-A1 METALLOENZYME INHIBITOR COMPOUNDS NQP 1598, LTD. (KY) 2019-01-17 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-20190016700-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO OGA 797/4885MAPT 2507/4885SMN1; SMN2 1142/4885
US-10464922-B2 Metalloenzyme inhibitor compounds MMEL1, GPX1, MPO OGA 797/4885MAPT 2507/4885SMN1; SMN2 1142/4885

“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.