SCHEMBL9696044

SCHEMBL9696044

O=C(c1cc([N+](=O)[O-])ccc1Cl)N(CCO)CCO

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
RORC P51449 6/20 0.49
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
CYP3A4 P08684 2/20 0.49
MAPK1 P28482 2/20 0.49
PPARG P37231 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPT P10636 2/20 0.49
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
PKM P14618 1/20 0.49
TSHR P16473 1/20 0.49
NFKB1 P19838 1/20 0.49
CYP2C19 P33261 1/20 0.49
THPO P40225 1/20 0.49
MTOR P42345 1/20 0.49

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
SCHEMBL9696161 0.86 ALDH1A1 (0.55) ALDH1A1RORCKMT2AMEN1CYP3A4
SCHEMBL5396641 0.79 L3MBTL1 (0.69) ALDH1A1RORCKMT2AMEN1CYP3A4
SCHEMBL15947022 0.77 RORC (0.55) RORCKMT2AMEN1CYP3A4MAPK1
SCHEMBL10953243 0.76 HSD17B10 (0.62) ALDH1A1RORCKMT2AMEN1CYP3A4
SCHEMBL231222 0.75 KMT2A (0.63) ALDH1A1RORCKMT2AMEN1CYP3A4
SCHEMBL398463 0.75 HSD17B10 (0.60) ALDH1A1RORCKMT2AMEN1CYP3A4
SCHEMBL8108406 0.75 HSD17B10 (0.51) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL9334396 0.74 RORC (0.52) RORCKMT2AMEN1CYP3A4MAPK1
SCHEMBL7597169 0.74 MAPT (0.67) RORCKMT2AMEN1CYP3A4MAPK1
SCHEMBL6340922 0.74 CES2 (0.58) ALDH1A1KMT2AMEN1MAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159446-A1 Methods and Compositions for Targeting Tregs using CCR8 Inhibitors NANJING IMMUNOPHAGE BIOMEDICAL CO., LTD. (CN) 2023-05-25 US disclosed
US-5126481-A Cyclization, reduction, decyclization BAYER AKTIENGESELLSCHAFT (DE) 1992-06-30 US disclosed
US-5041629-A Beta-phenoxyethylamines and their use for the preparation of dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1991-08-20 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-20230159446-A1 Methods and Compositions for Targeting Tregs using CCR8 Inhibitors CCR8, CCR1, CCR3 ALDH1A1 2716/4885RORC 37/4885KMT2A 2533/4885

“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.