SCHEMBL21632073

SCHEMBL21632073

CC(C(CC(=O)O)c1ccccc1Cl)[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
TSHR P16473 1/20 0.47
LMNA P02545 1/20 0.40
CTSA P10619 11/20 0.40
PTGFR P43088 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL21632028 0.82 ADRB2 (0.35) LMNA
SCHEMBL22993739 0.82 CTSA (0.45) CTSAPTGFRMEN1KMT2A
SCHEMBL12490826 0.80 CYP1A2 (0.45) CYP1A2TSHRKMT2A
SCHEMBL21632156 0.79 CYP2D6 (0.43) CYP1A2LMNACTSAPTGFRMEN1
SCHEMBL21708797 0.77 CASP1 (0.33) CYP1A2TSHRLMNAMEN1KMT2A
SCHEMBL17749160 0.75 FFAR1 (0.47) CTSAMEN1KMT2A
SCHEMBL5623819 0.72 ADRB2 (0.41) CYP1A2TSHRLMNAKMT2A
SCHEMBL2456546 0.72 MEN1 (0.58) CYP1A2TSHRCTSAMEN1KMT2A
SCHEMBL27471230 0.72 CTSA (0.47) CTSAMEN1KMT2A
SCHEMBL11047144 0.70 AKR1B1 (0.47) CTSAMEN1KMT2A

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-11136296-B2 Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof BAYER AKTIENGESELLSCHAFT (DE) 2021-10-05 US disclosed
US-20200031775-A1 SUBSTITUTED N-ARYLETHYL-2-ARYLQUINOLINE-4-CARBOXAMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-01-30 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-20200031775-A1 SUBSTITUTED N-ARYLETHYL-2-ARYLQUINOLINE-4-CARBOXAMIDES AND USE THEREOF AADAC, NAT1, EPX CYP1A2 409/4885TSHR 3453/4885LMNA 694/4885
US-11136296-B2 Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof AADAC, NAT1, EPX CYP1A2 409/4885TSHR 3453/4885LMNA 694/4885

“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.