SCHEMBL21361200

SCHEMBL21361200

CC(C)c1ccc(CNC2CCCCC2CC(C)c2ccc(CN3CCCCC3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 12/20 0.49
▸ NCF1 P14598 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ BCHE P06276 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ BACE1 P56817 1/20 0.38

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
SCHEMBL8319121 0.75 CCR2 (0.49) HRH3MEN1KMT2ASMN1; SMN2
SCHEMBL11139655 0.75 HRH3 (0.69) HRH3NCF1ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL7404903 0.74 HRH3 (0.67) HRH3NCF1ALDH1A1MEN1KMT2A
SCHEMBL4547890 0.74 HRH3 (0.65) HRH3NCF1ALDH1A1MEN1KMT2A
SCHEMBL4547912 0.71 ALDH1A1 (0.59) HRH3NCF1ALDH1A1KDM4EHTT
SCHEMBL10178419 0.68 HRH3 (0.62) HRH3NCF1ALDH1A1MEN1KMT2A
SCHEMBL17335871 0.68 HRH3 (0.66) HRH3ALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL21730434 0.67 NCF1 (0.66) HRH3NCF1ALDH1A1MEN1KMT2A
SCHEMBL10178474 0.67 HRH3 (0.59) HRH3NCF1ALDH1A1MEN1KMT2A
SCHEMBL6227511 0.66 HRH3 (0.57) HRH3NCF1ALDH1A1MEN1KMT2A

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-10745356-B2 Compositions and methods for treating tuberculosis THE BROAD INSTITUTE, INC. (US) 2020-08-18 — — US disclosed
US-20190284140-A1 COMPOSITIONS AND METHODS FOR TREATING TUBERCULOSIS THE BROAD INSTITUTE, INC. 2019-09-19 — — 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-10745356-B2 Compositions and methods for treating tuberculosis C5, IFNG, TERT HRH3 2194/4885NCF1 1635/4885ALDH1A1 1848/4885
US-20190284140-A1 COMPOSITIONS AND METHODS FOR TREATING TUBERCULOSIS C5, IFNG, TERT HRH3 2194/4885NCF1 1635/4885ALDH1A1 1848/4885

“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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