SCHEMBL17613140

SCHEMBL17613140

Bc1ccc(C(=O)CC)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.57
▸ MAPT P10636 4/20 0.57
▸ L3MBTL1 Q9Y468 2/20 0.57
▸ ATM Q13315 1/20 0.44
▸ HSD17B3 P37058 3/20 0.43
▸ RAB9A P51151 4/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ HTT P42858 2/20 0.41
▸ PGR P06401 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ GSK3B P49841 1/20 0.40
▸ HPGD P15428 2/20 0.40
▸ ABCB1 P08183 1/20 0.40
▸ HTR7 P34969 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39

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
Water SCHEMBL27733248 0.98 SMN1; SMN2 (0.55) SMN1; SMN2MAPTL3MBTL1ATMHSD17B3
SCHEMBL8051337 0.87 SMN1; SMN2 (0.70) SMN1; SMN2MAPTL3MBTL1ATMHSD17B3
Ethyne SCHEMBL8050785 0.82 SMN1; SMN2 (0.64) SMN1; SMN2MAPTL3MBTL1ATMHSD17B3
SCHEMBL10389933 0.80 SMN1; SMN2 (0.83) SMN1; SMN2MAPTL3MBTL1ATMHSD17B3
SCHEMBL13460757 0.78 KDM4E (0.41) SMN1; SMN2MAPTL3MBTL1HSD17B3RAB9A
SCHEMBL2644065 0.78 SMN1; SMN2 (0.59) SMN1; SMN2MAPTL3MBTL1ATMHSD17B3
SCHEMBL1146446 0.78 SMN1; SMN2 (0.65) SMN1; SMN2MAPTL3MBTL1ALDH1A1HPGD
SCHEMBL20620593 0.78 SMN1; SMN2 (0.59) SMN1; SMN2MAPTL3MBTL1ATMHSD17B3
SCHEMBL12300577 0.78 GSK3B (0.38) SMN1; SMN2MAPTL3MBTL1HSD17B3RAB9A
SCHEMBL507067 0.78 GSK3B (0.64) SMN1; SMN2MAPTL3MBTL1ATMRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023183405-A2 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS ALEXION PHARMACEUTICALS, INC. (US) 2023-09-28 — — WO disclosed
US-20230295133-A1 PROCESS FOR PREPARING A COMPOUND USEFUL TO TREAT MYCOSES PULMOCIDE LIMITED (GB) 2023-09-21 — — US disclosed
EP-2485591-B1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME (US) 2016-03-23 — — 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-20230295133-A1 PROCESS FOR PREPARING A COMPOUND USEFUL TO TREAT MYCOSES DPM1, CYP51A1, ERG28 SMN1; SMN2 3696/4885MAPT 2626/4885L3MBTL1 4796/4885

“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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