SCHEMBL14088941

SCHEMBL14088941

CNc1c(C)cc([N+](=O)[O-])cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.52
▸ TDP1 Q9NUW8 3/20 0.45
▸ MAPT P10636 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ TSHR P16473 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ GPR35 Q9HC97 2/20 0.43
▸ HTR1D P28221 1/20 0.43
▸ HTR1B P28222 1/20 0.43
▸ ADRA2A P08913 1/20 0.43
▸ ADRA2B P18089 1/20 0.43
▸ ADRA2C P18825 1/20 0.43
▸ CYP3A4 P08684 1/20 0.42
▸ RORC P51449 1/20 0.40
▸ TLR2 O60603 1/20 0.40
▸ TLR1 Q15399 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ NHERF1 O14745 1/20 0.39
▸ CYTH2 Q99418 1/20 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
SCHEMBL10879675 0.89 ALDH1A1 (0.59) ALDH1A1TDP1MAPTMAPK1TSHR
SCHEMBL10623045 0.87 TSHR (0.52) ALDH1A1TDP1MAPTMAPK1L3MBTL1
SCHEMBL18676404 0.82 GPR35 (0.56) ALDH1A1TDP1MAPTMAPK1L3MBTL1
SCHEMBL6771134 0.81 ALDH1A1 (0.72) ALDH1A1TDP1MAPTMAPK1L3MBTL1
SCHEMBL15218432 0.80 ALDH1A1 (0.46) ALDH1A1TDP1MAPTMAPK1L3MBTL1
SCHEMBL16386549 0.80 MAPT (0.55) ALDH1A1TDP1MAPTMAPK1L3MBTL1
SCHEMBL768569 0.78 ALDH1A1 (0.60) ALDH1A1TDP1MAPTMAPK1L3MBTL1
SCHEMBL6026052 0.77 ALDH1A1 (0.59) ALDH1A1TDP1TSHRHSD17B10GPR35
SCHEMBL19790249 0.77 ALDH1A1 (0.46) ALDH1A1TDP1TSHRHSD17B10GPR35
SCHEMBL14234731 0.77 GPR35 (0.43) ALDH1A1TDP1MAPTMAPK1L3MBTL1

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-20080194546-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2008-08-14 — — 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-20080194546-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors RPS6KB1, RPS6KA1, RPS3A ALDH1A1 4391/4885TDP1 3174/4885MAPT 4196/4885

“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.

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