SCHEMBL6315671

SCHEMBL6315671

ONC(Cl)c1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
KDM4E B2RXH2 3/20 0.41
CYP1A2 P05177 3/20 0.41
LMNA P02545 2/20 0.41
HIF1A Q16665 2/20 0.41
POLB P06746 1/20 0.41
CCR1 P32246 1/20 0.41
CCR5 P51681 1/20 0.41
CCR8 P51685 1/20 0.41
METAP1 P53582 1/20 0.41
BLM P54132 1/20 0.41
DOHH Q9BU89 1/20 0.41
P4HTM Q9NXG6 1/20 0.41
KCNA5 P22460 5/20 0.40
KCNE1 P15382 2/20 0.40
TSHR P16473 2/20 0.40
NPSR1 Q6W5P4 1/20 0.39
CYP3A4 P08684 2/20 0.39

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
SCHEMBL7103612 0.83 SLC6A2 (0.48) SLC6A3SLC6A2SLC6A4KDM4ECYP1A2
SCHEMBL24141365 0.76
SCHEMBL18722154 0.75 CYP1A2 (0.46) SLC6A3SLC6A2SLC6A4KDM4ECYP1A2
SCHEMBL478032 0.75
SCHEMBL6227535 0.75 SLC6A2 (0.54) SLC6A3SLC6A2SLC6A4KDM4ECYP1A2
SCHEMBL3305482 0.75 SLC6A3 (0.41) SLC6A3SLC6A2SLC6A4KDM4ECYP1A2
Hydrochloric Acid SCHEMBL6588210 0.73 SLC6A2 (0.52) SLC6A3SLC6A2SLC6A4KDM4ECYP1A2
Ammonia Solution, Strong SCHEMBL28456403 0.73 SLC6A2 (0.52) SLC6A3SLC6A2SLC6A4KDM4ECYP1A2
SCHEMBL29715186 0.73 SLC6A2 (0.52) SLC6A3SLC6A2SLC6A4KDM4ECYP1A2
SCHEMBL29715183 0.73 SLC6A2 (0.52) SLC6A3SLC6A2SLC6A4KDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 US disclosed
EP-1435948-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-07-14 EP disclosed
WO-2003013517-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2003-02-20 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-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors MAP3K9, MAP3K19, MAP4K2 SLC6A3 4259/4885SLC6A2 4504/4885SLC6A4 4245/4885

“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.