SCHEMBL17037019

SCHEMBL17037019

CC(=O)Nc1cccc(Oc2cc([N+](=O)[O-])ccc2C(=O)O)c1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.71
KMT2A Q03164 5/20 0.71
PYGL P06737 9/20 0.60
SMN1; SMN2 Q16637 3/20 0.59
GAA P10253 1/20 0.53
PKM P14618 1/20 0.53
PYGM P11217 2/20 0.51
ALDH1A1 P00352 2/20 0.49
LMNA P02545 2/20 0.49
MAPT P10636 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
PLAU P00749 1/20 0.48
AKR1C3 P42330 1/20 0.48
AKR1C2 P52895 1/20 0.48

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
SCHEMBL7823632 0.84 KDM4E (0.55) PYGLPYGMALDH1A1MAPTTDP1
SCHEMBL3737969 0.82 MEN1 (0.73) MEN1KMT2ASMN1; SMN2GAAPKM
SCHEMBL5753134 0.81 MAPK1 (0.57) MEN1KMT2ASMN1; SMN2PYGMALDH1A1
SCHEMBL2312527 0.81 MEN1 (0.63) MEN1KMT2APYGLSMN1; SMN2ALDH1A1
SCHEMBL5752469 0.81 MAPT (0.54) MEN1KMT2APYGLSMN1; SMN2GAA
SCHEMBL17819637 0.80 PYGL (0.54) MEN1KMT2APYGLSMN1; SMN2PYGM
SCHEMBL3737974 0.78 MEN1 (0.69) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL4683934 0.78 KMT2A (0.62) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL4683941 0.78 KMT2A (0.62) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL4686928 0.78 KMT2A (0.65) MEN1KMT2ASMN1; SMN2GAAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110664816-A SECA inhibitors and methods of making and using the same 佐治亚州立大学研究基金会公司 2020-01-10 CN disclosed
US-20180179233-A1 NEAR-IR GLUCOSE SENSORS PROFUSA, INC. (US) 2018-06-28 US disclosed
US-20150240283-A1 Compound Kingston Universty Higher Education Corporation (GB) 2015-08-27 US disclosed
US-20150240283-A1 Compound Kingston Universty Higher Education Corporation (GB) 2015-08-27 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-20150240283-A1 Compound RPIA, STS, CLPP MEN1 4222/4885KMT2A 911/4885PYGL 3218/4885
US-20180179233-A1 NEAR-IR GLUCOSE SENSORS IRS1, INSR, SLC2A4 MEN1 3439/4885KMT2A 3577/4885PYGL 56/4885

“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.