SCHEMBL7119222

SCHEMBL7119222

Cc1cc([N+](=O)[O-])ccc1N=C1SCCN1CC1CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.39
▸ LMNA P02545 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ CRHBP P24387 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39
▸ SIGMAR1 Q99720 4/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ GRIN2D O15399 3/20 0.35
▸ GRIN3B O60391 3/20 0.35
▸ GRIN1 Q05586 3/20 0.35
▸ GRIN2A Q12879 3/20 0.35
▸ GRIN2B Q13224 3/20 0.35
▸ GRIN2C Q14957 3/20 0.35
▸ GRIN3A Q8TCU5 3/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ ACHE P22303 2/20 0.34
▸ MEN1 O00255 2/20 0.33

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
SCHEMBL7119217 1.00 ALDH1A1 (0.39) ALDH1A1LMNAMAPTSMN1; SMN2CRHBP
SCHEMBL7119892 0.96 ALDH1A1 (0.42) ALDH1A1LMNAMAPTSMN1; SMN2CRHBP
SCHEMBL7119889 0.96 ALDH1A1 (0.42) ALDH1A1LMNAMAPTSMN1; SMN2CRHBP
SCHEMBL7118284 0.95 ALDH1A1 (0.41) ALDH1A1LMNAMAPTSMN1; SMN2CRHBP
SCHEMBL7119295 0.95 ALDH1A1 (0.41) ALDH1A1LMNAMAPTSMN1; SMN2CRHBP
SCHEMBL7119301 0.95 ALDH1A1 (0.41) ALDH1A1LMNAMAPTSMN1; SMN2CRHBP
SCHEMBL7118260 0.95 ALDH1A1 (0.41) ALDH1A1LMNAMAPTSMN1; SMN2CRHBP
SCHEMBL7118257 0.95 ALDH1A1 (0.41) ALDH1A1LMNAMAPTSMN1; SMN2CRHBP
SCHEMBL7118286 0.95 ALDH1A1 (0.41) ALDH1A1LMNAMAPTSMN1; SMN2CRHBP
SCHEMBL7119179 0.83 ALDH1A1 (0.38) ALDH1A1LMNAMAPTSMN1; SMN2CRHBP

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 ALDH1A1 587/4885LMNA 3221/4885MAPT 4372/4885

“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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