SCHEMBL6460103

SCHEMBL6460103

C[C@H](c1ccc([N+](=O)[O-])cc1)C1(C(N)=O)CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
MAPT P10636 4/20 0.41
KMT2A Q03164 4/20 0.41
GAA P10253 2/20 0.40
MEN1 O00255 1/20 0.40
DPP4 P27487 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 2/20 0.39
LMNA P02545 2/20 0.39
USP2 O75604 1/20 0.39
HTR1E P28566 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
S1PR3 Q99500 1/20 0.39
NPC1 O15118 1/20 0.39
NOS1 P29475 2/20 0.39
MAPK1 P28482 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL6459963 1.00 TSHR (0.41) TSHRMAPTKMT2AGAAMEN1
SCHEMBL5521100 0.81 ALOX5 (0.42) KMT2AALDH1A1LMNA
SCHEMBL6922904 0.80 HSD11B1 (0.39) DPP4DPP8ALDH1A1
SCHEMBL6457653 0.80 HSD11B1 (0.39) DPP4DPP8ALDH1A1
SCHEMBL6462324 0.80 HSD11B1 (0.39) DPP4DPP8ALDH1A1
SCHEMBL517632 0.79 ALOX5 (0.41) KMT2AALDH1A1LMNA
SCHEMBL20899363 0.78 NPC1 (0.40) TSHRMAPTKMT2AGAAMEN1
SCHEMBL6457544 0.77 SLC6A4 (0.47) KMT2AMEN1ALDH1A1LMNA
SCHEMBL6923366 0.77 SLC6A4 (0.47) KMT2AMEN1ALDH1A1LMNA
SCHEMBL2199204 0.72 THRB (0.41) TSHRMAPTKMT2AGAAMEN1

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-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 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-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 TSHR 156/4885MAPT 517/4885KMT2A 693/4885

“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.