SCHEMBL9058198

SCHEMBL9058198

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.64
▸ DRD2 P14416 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ GAA P10253 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ DCTPP1 Q9H773 1/20 0.44
▸ KMT2A Q03164 5/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ MEN1 O00255 4/20 0.43
▸ TSHR P16473 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HTR3E A5X5Y0 1/20 0.41
▸ HTR3B O95264 1/20 0.41
▸ ADRB1 P08588 1/20 0.41
▸ HTR3A P46098 1/20 0.41
▸ HTR3D Q70Z44 1/20 0.41

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
SCHEMBL9038976 0.91 MAPT (0.59) MAPTDRD2ALDH1A1SMN1; SMN2GAA
SCHEMBL17832622 0.87 MAPT (0.53) MAPTDRD2ALDH1A1SMN1; SMN2GAA
SCHEMBL19730466 0.86 MAPT (0.48) MAPTALDH1A1SMN1; SMN2GAALMNA
SCHEMBL2548018 0.78 MAPT (1.00) MAPTDRD2ALDH1A1SMN1; SMN2GAA
SCHEMBL9284781 0.78 MAPT (1.00) MAPTDRD2ALDH1A1SMN1; SMN2GAA
SCHEMBL3120176 0.78 MAPT (1.00) MAPTDRD2ALDH1A1SMN1; SMN2GAA
SCHEMBL9041528 0.77 DRD2 (0.51) MAPTDRD2ALDH1A1SMN1; SMN2GAA
SCHEMBL9038067 0.77 DRD2 (0.59) MAPTDRD2ALDH1A1SMN1; SMN2GAA
SCHEMBL13654227 0.77 MAPT (0.59) MAPTDRD2ALDH1A1SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL11213012 0.76 MAPT (0.57) MAPTDRD2ALDH1A1KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220106302-A1 ITRACONAZOLE ANALOGS AND USE THEREOF THE JOHNS HOPKINS UNIVERSITY 2022-04-07 — — US disclosed
US-20170362211-A1 SMALL MOLECULE INHIBITORS OF FIBROSIS THE SCRIPPS RESEARCH INSTITUTE 2017-12-21 — — US disclosed
EP-0402989-B1 Antifungal 4-[4-[4-[4-[[2-(2,4-difluorophenyl)-2-(1H-azolylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]phenyl]triazolones and imidazolones JANSSEN PHARMACEUTICA NV (BE) 1996-04-03 — — EP disclosed
US-5075309-A For prevention and treatment of fungal diseases in mammals JANSSEN PHARMACEUTICA N.V. (BE) 1991-12-24 — — US disclosed
EP-0402989-A2 Antifungal 4-[4-[4-[4-[[2-(2,4-difluorophenyl)-2-(1H-azolylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]phenyl]triazolones and imidazolones JANSSEN PHARMACEUTICA N.V. (BE) 1990-12-19 — — 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 (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-20220106302-A1 ITRACONAZOLE ANALOGS AND USE THEREOF CYP3A4, SHH, GLI1 MAPT 4110/4885DRD2 3729/4885ALDH1A1 428/4885
US-20170362211-A1 SMALL MOLECULE INHIBITORS OF FIBROSIS MMP1, COL2A1, MMP8 MAPT 4142/4885DRD2 4878/4885ALDH1A1 1089/4885

“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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