SCHEMBL21100853

SCHEMBL21100853

CCCCCCNCc1ccc(C(C)C)cc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.67
▸ HRH4 Q9H3N8 1/20 0.66
▸ HRH3 Q9Y5N1 1/20 0.66
▸ LMNA P02545 1/20 0.63
▸ CYP1A2 P05177 2/20 0.60
▸ CYP2D6 P10635 2/20 0.60
▸ CYP2C19 P33261 2/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ EPHX1 P07099 1/20 0.54
▸ S1PR1 P21453 6/20 0.53
▸ S1PR3 Q99500 6/20 0.53
▸ S1PR2 O95136 5/20 0.53
▸ LPAR2 Q9HBW0 3/20 0.53
▸ CHRM2 P08172 4/20 0.53
▸ S1PR4 O95977 2/20 0.51
▸ S1PR5 Q9H228 1/20 0.49

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
SCHEMBL10045072 0.95 SMN1; SMN2 (0.65) SMN1; SMN2HRH4HRH3LMNACYP1A2
SCHEMBL10045173 0.87 L3MBTL1 (0.62) SMN1; SMN2HRH4HRH3LMNACYP1A2
SCHEMBL10045171 0.87 L3MBTL1 (0.62) SMN1; SMN2HRH4HRH3LMNACYP1A2
SCHEMBL9259496 0.87 HRH4 (0.84) SMN1; SMN2HRH4HRH3LMNACYP1A2
SCHEMBL10748421 0.87 HRH4 (0.84) SMN1; SMN2HRH4HRH3LMNACYP1A2
SCHEMBL9637156 0.87 HRH4 (0.84) SMN1; SMN2HRH4HRH3LMNACYP1A2
SCHEMBL10747074 0.87 HRH4 (0.84) SMN1; SMN2HRH4HRH3LMNACYP1A2
SCHEMBL10045143 0.85 L3MBTL1 (0.64) SMN1; SMN2HRH4HRH3CYP1A2CYP2D6
SCHEMBL11922726 0.85 L3MBTL1 (0.64) SMN1; SMN2HRH4HRH3LMNACYP1A2
SCHEMBL10045180 0.85 L3MBTL1 (0.55) SMN1; SMN2HRH4HRH3LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10329257-B2 Compositions and methods for treating tuberculosis THE BROAD INSTITUTE, INC. (US) 2019-06-25 — — 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-10329257-B2 Compositions and methods for treating tuberculosis C5, IFNG, TERT SMN1; SMN2 4633/4885HRH4 1456/4885HRH3 2194/4885

“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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