SCHEMBL3859628

SCHEMBL3859628

Cc1cc(NCC(O)CO)ccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
RAB9A P51151 6/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
MAPT P10636 4/20 0.47
TSHR P16473 1/20 0.43
NPC1 O15118 4/20 0.43
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
GLA P06280 1/20 0.40
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
POLB P06746 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
SCHEMBL18527857 1.00 ALDH1A1 (0.50) ALDH1A1RAB9AMEN1KMT2AMAPT
SCHEMBL18527612 0.82 RAB9A (0.49) ALDH1A1RAB9AMEN1KMT2AMAPT
SCHEMBL18527610 0.82 RAB9A (0.49) ALDH1A1RAB9AMEN1KMT2AMAPT
SCHEMBL11773301 0.81 HTT (0.56) ALDH1A1RAB9AMEN1KMT2AMAPT
SCHEMBL26090819 0.81 MEN1 (0.49) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL8436247 0.80 GLA (0.54) RAB9AMAPTL3MBTL1GLALMNA
SCHEMBL18528029 0.80 AR (0.55) ALDH1A1TSHRGLALMNASMN1; SMN2
SCHEMBL18528032 0.80 AR (0.55) ALDH1A1TSHRGLALMNASMN1; SMN2
SCHEMBL14266750 0.80 ALDH1A1 (0.55) ALDH1A1RAB9AMEN1KMT2AMAPT
SCHEMBL18528087 0.79 MAPT (0.46) ALDH1A1RAB9AMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3135669-B1 OXAZOLIDINE-BASED COMPOUND AND SELECTIVE ANDROGEN RECEPTOR AGONIST COMPRISING SAME DONG A ST CO LTD (KR) 2024-08-28 EP disclosed
US-9809583-B2 Oxazolidine-based compound and selective androgen receptor agonist comprising same DONG-A ST CO., LTD. (KR) 2017-11-07 US disclosed
EP-3135669-A1 OXAZOLIDINE-BASED COMPOUND AND SELECTIVE ANDROGEN RECEPTOR AGONIST COMPRISING SAME Dong-A ST Co., Ltd. (KR) 2017-03-01 EP disclosed
US-20170050955-A1 OXAZOLIDINE-BASED COMPOUND AND SELECTIVE ANDROGEN RECEPTOR AGONIST COMPRISING SAME DONG-A ST CO., LTD. (KR) 2017-02-23 US disclosed
US-7591860-B2 N-alkylpolyhydroxylated secondary para-phenylenediamines, dye compositions comprising them, processes, and uses thereof L'OREAL, S.A. (FR) 2009-09-22 US disclosed
US-7591860-B2 N-alkylpolyhydroxylated secondary para-phenylenediamines, dye compositions comprising them, processes, and uses thereof L'OREAL, S.A. (FR) 2009-09-22 US disclosed
US-7591860-B2 N-alkylpolyhydroxylated secondary para-phenylenediamines, dye compositions comprising them, processes, and uses thereof L'OREAL, S.A. (FR) 2009-09-22 US disclosed
US-20060026777-A1 N-alkylpolyhydroxylated secondary para-phenylenediamines, dye compositions comprising them, processes, and uses thereof L'OREAL S.A. (FR) 2006-02-09 US disclosed
EP-1580184-A1 secondary N-alkylepolyhydroxilated p-phenylendiamines, dye composition comprising them, processes and uses L'OREAL (FR) 2005-09-28 EP 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-20170050955-A1 OXAZOLIDINE-BASED COMPOUND AND SELECTIVE ANDROGEN RECEPTOR AGONIST COMPRISING SAME AR, SHBG, MUSK ALDH1A1 1632/4885RAB9A 3731/4885MEN1 3697/4885
US-20060026777-A1 N-alkylpolyhydroxylated secondary para-phenylenediamines, dye compositions comprising them, processes, and uses thereof KRT18, CDC73, DSP ALDH1A1 763/4885RAB9A 3861/4885MEN1 4021/4885

“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.