Sugi Predict

Sugi Predict / Compounds / SCHEMBL6404781

SCHEMBL6404781

SCHEMBL6404781

N#CC[C@H]1CCC[C@@H](CN2Cc3cccc(NC(=O)c4ccc(Cl)s4)c3C2=O)C1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 1/20 0.46
▸ UGCG Q16739 1/20 0.46
▸ PARP1 P09874 6/20 0.38
▸ F10 P00742 4/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ PREP P48147 1/20 0.36
▸ STK33 Q9BYT3 1/20 0.34
▸ F2 P00734 2/20 0.34
▸ PARP2 Q9UGN5 1/20 0.34
▸ MCL1 Q07820 1/20 0.34

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
SCHEMBL6404809 1.00 NR1I2 (0.46) NR1I2UGCGPARP1F10ALDH1A1
SCHEMBL5784790 1.00 NR1I2 (0.46) NR1I2UGCGPARP1F10ALDH1A1
SCHEMBL6402770 0.85 ACHE (0.40) F10ALDH1A1HPGDSMN1; SMN2STK33
SCHEMBL5783198 0.85 ACHE (0.40) F10ALDH1A1HPGDSMN1; SMN2STK33
SCHEMBL5783190 0.85 ACHE (0.40) F10ALDH1A1HPGDSMN1; SMN2STK33
SCHEMBL6407633 0.83 ALDH1A1 (0.38) F10ALDH1A1HPGDSMN1; SMN2STK33
SCHEMBL5784018 0.83 ALDH1A1 (0.38) F10ALDH1A1HPGDSMN1; SMN2STK33
SCHEMBL5784023 0.83 ALDH1A1 (0.38) F10ALDH1A1HPGDSMN1; SMN2STK33
SCHEMBL5779878 0.83 NR1I2 (0.54) NR1I2UGCGPARP1F10ALDH1A1
SCHEMBL5783159 0.79 NR1I2 (0.49) NR1I2UGCGPARP1F10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200360252-A1 A PERSONAL CARE COMPOSITION CONOPCO, INC., D/B/A UNILEVER (US) 2020-11-19 — — US claimed
EP-3675806-A1 A PERSONAL CARE COMPOSITION Unilever N.V. (NL) 2020-07-08 — — EP claimed
WO-2019042795-A1 A PERSONAL CARE COMPOSITION UNILEVER N.V. (NL) 2019-03-07 — — WO claimed
US-6863897-B2 Stabilization of resorcinol derivatives in cosmetic compositions UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. (US) 2005-03-08 — — US claimed
WO-2003080002-A1 STABILIZATION OF RESORCINOL DERIVATIVES IN COSMETIC COMPOSITIONS UNILEVER PLC (GB) 2003-10-02 — — WO claimed
US-20030180234-A1 Stabilization of resorcinol derivatives in cosmetic compositions UNILEVER HOME & PERSONAL CARE USA, 2003-09-25 — — US claimed
US-20200360252-A1 A PERSONAL CARE COMPOSITION CONOPCO, INC., D/B/A UNILEVER (US) 2020-11-19 — — US disclosed
EP-3675806-A1 A PERSONAL CARE COMPOSITION Unilever N.V. (NL) 2020-07-08 — — EP disclosed
WO-2019042795-A1 A PERSONAL CARE COMPOSITION UNILEVER N.V. (NL) 2019-03-07 — — WO 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-20030180234-A1 Stabilization of resorcinol derivatives in cosmetic compositions RCOR1, RCOR3, MCOLN2 NR1I2 117/4885UGCG 745/4885PARP1 2017/4885

“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.