SCHEMBL23914744

SCHEMBL23914744

Nc1cc(OCC2CC2)c(F)cc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CYP19A1 P11511 2/20 0.38
POLB P06746 1/20 0.38
MCL1 Q07820 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 1/20 0.38
SIGMAR1 Q99720 1/20 0.36
HSPB1 P04792 1/20 0.35
HTR2A P28223 2/20 0.35
HTR2B P41595 2/20 0.35
MLNR O43193 1/20 0.35
ADRB2 P07550 1/20 0.35
CHRM1 P11229 1/20 0.35
DRD2 P14416 1/20 0.35

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
SCHEMBL26776130 0.87 CYP19A1 (0.40) MAPTCYP19A1ALDH1A1LMNASIGMAR1
SCHEMBL23908848 0.83 MAPT (0.45) MAPTMEN1KMT2APOLBMCL1
SCHEMBL28425978 0.83 CYP19A1 (0.37) MAPTCYP19A1ALDH1A1LMNASIGMAR1
SCHEMBL5565701 0.83 ALDH1A1 (0.38) MAPTMEN1KMT2ACYP19A1POLB
SCHEMBL23909023 0.81 MEN1 (0.42) MAPTMEN1KMT2ACYP1A2CYP2C9
SCHEMBL30286630 0.81 CYP19A1 (0.48) CYP19A1HTR2AHTR2BCCNA2CDK2
SCHEMBL23914594 0.80 HTR2C (0.42) HTR2AHTR2BCDK2HTR2C
SCHEMBL1538970 0.80 MAPT (0.55) MAPTMEN1KMT2ACYP1A2CYP2C9
SCHEMBL16738710 0.78 CYP19A1 (0.39) MAPTMEN1KMT2ACYP19A1POLB
SCHEMBL23914961 0.77 MAPT (0.42) MAPTMEN1KMT2ACYP1A2CYP2C9

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
EP-3649119-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2021-11-03 EP disclosed
US-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GILEAD SCIENCES, INC. 2021-10-14 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-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS S1PR1, S1PR3, S1PR2 MAPT 4876/4885MEN1 2554/4885KMT2A 2974/4885

“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.