SCHEMBL7114268

SCHEMBL7114268

COc1cc([N+](=O)[O-])ccc1/N=C1\SCCN1CC1CCCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MPI P34949 1/20 0.42
▸ MAP2K1 Q02750 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ CYP19A1 P11511 4/20 0.39
▸ HTT P42858 2/20 0.37
▸ KMT2A Q03164 5/20 0.37
▸ MEN1 O00255 4/20 0.37
▸ PKM P14618 2/20 0.36
▸ TSHR P16473 2/20 0.35
▸ PABPC1 P11940 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ PTGES O14684 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ MAPT P10636 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
SCHEMBL7114269 1.00 MPI (0.42) MPIMAP2K1NPSR1L3MBTL1ALDH1A1
SCHEMBL7121123 1.00 MPI (0.42) MPIMAP2K1NPSR1L3MBTL1ALDH1A1
SCHEMBL7121128 1.00 MPI (0.42) MPIMAP2K1NPSR1L3MBTL1ALDH1A1
SCHEMBL7119301 0.87 ALDH1A1 (0.41) L3MBTL1ALDH1A1CYP19A1KMT2ATSHR
SCHEMBL7118260 0.87 ALDH1A1 (0.41) L3MBTL1ALDH1A1CYP19A1KMT2ATSHR
SCHEMBL7118284 0.87 ALDH1A1 (0.41) L3MBTL1ALDH1A1CYP19A1KMT2ATSHR
SCHEMBL7118286 0.87 ALDH1A1 (0.41) L3MBTL1ALDH1A1CYP19A1KMT2ATSHR
SCHEMBL7119295 0.87 ALDH1A1 (0.41) L3MBTL1ALDH1A1CYP19A1KMT2ATSHR
SCHEMBL7118257 0.87 ALDH1A1 (0.41) L3MBTL1ALDH1A1CYP19A1KMT2ATSHR
SCHEMBL7119892 0.86 ALDH1A1 (0.42) L3MBTL1ALDH1A1CYP19A1KMT2ATSHR

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-20030207865-A1 Substituted 2-arylimino heterocycles and compositions containing them for use as progesterone receptor binding agents DIXON BRIAN R (US) 2003-11-06 — — US disclosed
US-6353006-B1 TREATMENT OF BONE DISORDERS, OSTEOPOROSIS AND HEALING AGENT BAYER CORPORATION 2002-03-05 — — 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-20030207865-A1 Substituted 2-arylimino heterocycles and compositions containing them for use as progesterone receptor binding agents PGR, PGRMC2, PGRMC1 MPI 2492/4885MAP2K1 2842/4885NPSR1 147/4885

“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.

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