SCHEMBL3269518

SCHEMBL3269518

CC(=O)N1CCc2c(C)cc(C)c(N)c21.[O-][Br+2]([O-])O

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 14/20 0.41
▸ CYP11B2 P19099 4/20 0.33
▸ PKM P14618 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CYP11B1 P15538 1/20 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
SCHEMBL3269563 0.71 NOTUM (0.53) NOTUMCYP11B2CYP11B1
SCHEMBL3265855 0.68 SOAT1 (0.61) NOTUM
SCHEMBL6322481 0.66 NOTUM (0.46) NOTUMCYP11B2
SCHEMBL20939323 0.66 NOTUM (0.56) NOTUMCYP11B2
SCHEMBL20939587 0.66 NOTUM (0.46) NOTUMCYP11B2
SCHEMBL1761149 0.65 NOTUM (0.61) NOTUMCYP11B2MEN1KMT2ACYP11B1
SCHEMBL20939398 0.65 CYP11B2 (0.48) NOTUMCYP11B2
SCHEMBL8824021 0.65 NOTUM (0.49) NOTUMMEN1KMT2A
SCHEMBL6685699 0.64 NOTUM (0.64) NOTUMCYP11B2PKMCYP11B1
SCHEMBL18369759 0.63 ALDH1A1 (0.51) NOTUMCYP11B2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1541553-B1 INDOLINE COMPOUND AND MEDICINAL USE THEREOF KYOTO PHARMA IND (JP) 2010-06-02 — — EP disclosed
US-7429612-B2 Indoline compound and medicinal use thereof KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2008-09-30 — — US disclosed
US-20060128787-A1 Novel indoline compound and medicinal use thereof KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2006-06-15 — — US disclosed
CN-1681781-A Novel indoline compound and medicinal use thereof KYOTO PHARMA IND (JP) 2005-10-12 — — CN disclosed
EP-1541553-A1 NOVEL INDOLINE COMPOUND AND MEDICINAL USE THEREOF Kyoto Pharmaceutical Industries, Ltd. (JP) 2005-06-15 — — EP 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-20060128787-A1 Novel indoline compound and medicinal use thereof ACAT2, ACAT1, ACOX1 NOTUM 219/4885CYP11B2 79/4885PKM 2109/4885

“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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