SCHEMBL20150205

SCHEMBL20150205

O=[N+]([O-])c1ccc(C2=CCCCO2)cc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.45
ATM Q13315 1/20 0.45
MAPT P10636 8/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
ALDH1A1 P00352 5/20 0.34
HIF1A Q16665 1/20 0.34
TXNRD1 Q16881 1/20 0.33
TXNRD3 Q86VQ6 1/20 0.33
TXNRD2 Q9NNW7 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
VCAM1 P19320 1/20 0.33
MITF O75030 1/20 0.32
GAA P10253 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
AAK1 Q2M2I8 1/20 0.32

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
SCHEMBL30867956 0.75 TDP1 (0.49) TDP1ATMMAPTLMNAHTT
SCHEMBL20150206 0.75 CYP19A1 (0.39) MAPTHTTALDH1A1CYP2C9
SCHEMBL17749477 0.69 TDP1 (0.71) TDP1ATMMAPTLMNAALDH1A1
SCHEMBL1298624 0.67 TDP1 (0.58) TDP1ATMMAPTLMNAHTT
SCHEMBL31375722 0.67 TDP1 (0.58) TDP1ATMMAPTLMNAHTT
SCHEMBL31424503 0.67 RAB9A (0.38) MAPTLMNAALDH1A1GAAMEN1
SCHEMBL318782 0.67 MEN1 (0.40) MAPTHTTALDH1A1TXNRD1TXNRD3
SCHEMBL22130136 0.66 TDP1 (0.56) TDP1ATMMAPTALDH1A1HIF1A
SCHEMBL2655681 0.66 TDP1 (0.56) TDP1ATMMAPTLMNAHTT
SCHEMBL3900786 0.65 TDP1 (0.55) TDP1ATMMAPTALDH1A1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-17 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 (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-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 TDP1 330/4885ATM 759/4885MAPT 1236/4885

“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.