SCHEMBL19730466

SCHEMBL19730466

CCC(C)n1ccn(-c2ccc(N3CCN(c4ccc(C)cc4)CC3)cc2)c1=O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.48
▸ GAA P10253 3/20 0.48
▸ HTT P42858 2/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ DGAT1 O75907 1/20 0.38
▸ ADRB1 P08588 1/20 0.37
▸ AKR1C3 P42330 1/20 0.37
▸ ALOX15 P16050 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ HTR7 P34969 1/20 0.36
▸ DHFR P00374 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
SCHEMBL9058198 0.86 MAPT (0.64) MAPTGAAHTTKDM4EALDH1A1
SCHEMBL12240584 0.76 MAPT (0.80) MAPTGAAHTTKDM4EALDH1A1
SCHEMBL9038976 0.76 MAPT (0.59) MAPTGAAALDH1A1LMNASMN1; SMN2
SCHEMBL19730460 0.76 MAPT (0.80) MAPTGAAHTTKDM4EALDH1A1
SCHEMBL17660251 0.76 ELANE (0.41) KDM4EALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL25160112 0.75 RGS4 (0.34) MAPTGAAHTTKDM4EALDH1A1
SCHEMBL81372 0.75 MAPT (0.47) MAPTGAAHTTKDM4EALDH1A1
SCHEMBL20639954 0.74 MAPT (0.41) MAPTGAAHTTKDM4EALDH1A1
SCHEMBL20639931 0.73 AKR1C3 (0.39) MAPTGAAHTTKDM4EALDH1A1
SCHEMBL27545139 0.73 MAPT (0.55) MAPTGAAHTTKDM4EALDH1A1

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-20170362211-A1 SMALL MOLECULE INHIBITORS OF FIBROSIS THE SCRIPPS RESEARCH INSTITUTE 2017-12-21 — — 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-20170362211-A1 SMALL MOLECULE INHIBITORS OF FIBROSIS MMP1, COL2A1, MMP8 MAPT 4142/4885GAA 2083/4885HTT 4637/4885

“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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