SCHEMBL8393827

SCHEMBL8393827

CCOc1ccc(CN(CC)c2ccc(-c3cc(C)c(O)c(C)c3)nn2)cc1OC

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CALM1 P0DP23 3/20 0.40
▸ POLB P06746 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TP53 P04637 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ THRB P10828 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ S1PR1 P21453 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
SCHEMBL3246833 0.90 CALM1 (0.40) CALM1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL3246733 0.77 ALDH1A1 (0.45) SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL3240221 0.73 HSP90AA1 (0.41) POLBSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL3238260 0.66 L3MBTL1 (0.45) SMN1; SMN2MEN1KMT2ATP53ALDH1A1
SCHEMBL579760 0.63 CALM1 (0.61) CALM1POLBSMN1; SMN2MAPTLMNA
SCHEMBL30714383 0.63 CALM1 (0.61) CALM1POLBSMN1; SMN2MAPTLMNA
SCHEMBL8171761 0.62 CALM1 (0.65) CALM1SMN1; SMN2KMT2ATP53MAPT
SCHEMBL9183532 0.62 SMN1; SMN2 (0.48) SMN1; SMN2MEN1KMT2ATP53MAPT
SCHEMBL5873476 0.60 CALM1 (0.67) CALM1POLBMAPTGAAS1PR1
SCHEMBL58054 0.60 CALM1 (0.58) CALM1SMN1; SMN2MAPTALDH1A1LMNA

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-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-12-24 — — 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-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives CFTR, PKD1, PKD2 CALM1 4562/4885POLB 2710/4885SMN1; SMN2 4546/4885

“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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