SCHEMBL20202522

SCHEMBL20202522

CC(C)C(=O)c1cc(N)ccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.51
TDP1 Q9NUW8 2/20 0.51
ALDH1A1 P00352 4/20 0.49
CYP3A4 P08684 3/20 0.49
ALOX15 P16050 3/20 0.49
MAPK1 P28482 3/20 0.49
RECQL P46063 1/20 0.49
HSD17B10 Q99714 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
DTYMK P23919 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
ALOX5 P09917 1/20 0.40
PDK1 Q15118 2/20 0.39
LMNA P02545 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
SCHEMBL1887530 0.81 TSHR (0.56) TSHRTDP1ALDH1A1CYP3A4ALOX15
SCHEMBL16123041 0.81 TDP1 (0.51) TSHRTDP1ALDH1A1CYP3A4ALOX15
SCHEMBL28138122 0.80 DTYMK (0.62) TSHRTDP1ALDH1A1CYP3A4ALOX15
SCHEMBL8994310 0.80 TDP1 (0.58) TSHRTDP1ALDH1A1CYP3A4ALOX15
SCHEMBL29355161 0.80 DTYMK (0.62) TSHRTDP1ALDH1A1CYP3A4ALOX15
SCHEMBL268279 0.80 DTYMK (0.62) TSHRTDP1ALDH1A1CYP3A4ALOX15
SCHEMBL22065496 0.78 ALDH1A1 (0.49) TDP1ALDH1A1MAPK1SMN1; SMN2NPC1
SCHEMBL10773732 0.78 TDP1 (0.56) TSHRTDP1ALDH1A1CYP3A4ALOX15
Ammonia Solution, Strong SCHEMBL30783526 0.78 DTYMK (0.60) TSHRTDP1ALDH1A1CYP3A4ALOX15
SCHEMBL267231 0.77 GAA (0.58) TSHRTDP1ALDH1A1CYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11660350-B2 Antibacterial products UNIVERSITY OF LINCOLN (GB) 2023-05-30 US disclosed
US-20180147290-A1 NEW ANTIBACTERIAL PRODUCTS UNIVERSITY OF LINCOLN (GB) 2018-05-31 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 (2 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-11660350-B2 Antibacterial products MSN, VAPA, SLC47A2 TSHR 3948/4885TDP1 4761/4885ALDH1A1 4338/4885
US-20180147290-A1 NEW ANTIBACTERIAL PRODUCTS MSN, VAPA, VAPB TSHR 3813/4885TDP1 4789/4885ALDH1A1 4635/4885

“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.