SCHEMBL20150186

SCHEMBL20150186

CSc1cc(C)ccc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.64
CYP3A4 P08684 1/20 0.64
GPR35 Q9HC97 1/20 0.44
ACHE P22303 2/20 0.43
HSD17B10 Q99714 2/20 0.43
KAT2B Q92831 2/20 0.43
MAPT P10636 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
IDO1 P14902 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
TXNRD1 Q16881 1/20 0.40
TXNRD3 Q86VQ6 1/20 0.40
TXNRD2 Q9NNW7 1/20 0.40

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
SCHEMBL7597811 0.86 TSHR (0.62) TSHRCYP3A4GPR35HSD17B10KAT2B
SCHEMBL10127002 0.82 TSHR (0.56) TSHRCYP3A4GPR35ACHEHSD17B10
SCHEMBL2935849 0.81 BACE1 (0.45) TSHRCYP3A4GPR35ALDH1A1MEN1
SCHEMBL29662266 0.81 BACE1 (0.45) TSHRCYP3A4GPR35ALDH1A1MEN1
SCHEMBL8446725 0.81 TSHR (0.58) TSHRCYP3A4HSD17B10MAPTTDP1
SCHEMBL1151368 0.81 ATM (0.58) TSHRCYP3A4MAPTTDP1IDO1
SCHEMBL5423544 0.81 PDE7A (0.42) TSHRCYP3A4MAPTTDP1LMNA
SCHEMBL2545546 0.81 MAPK1 (0.58) TSHRMAPTTDP1ALDH1A1LMNA
SCHEMBL29662268 0.81 ATM (0.58) TSHRCYP3A4MAPTTDP1IDO1
SCHEMBL21445778 0.80 TSHR (0.55) TSHRCYP3A4GPR35MAPTALDH1A1

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 TSHR 1652/4885CYP3A4 4404/4885GPR35 2963/4885

“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.