Dihydrosamidin

Dihydrosamidin

SCHEMBL12062121

CC(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@@H]1OC(=O)CC(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 15/20 1.00
▸ ALDH1A1 P00352 12/20 1.00
▸ HPGD P15428 12/20 1.00
▸ CYP3A4 P08684 4/20 1.00
▸ HSD17B10 Q99714 4/20 1.00
▸ NPSR1 Q6W5P4 3/20 1.00
▸ LMNA P02545 2/20 1.00
▸ TSHR P16473 2/20 1.00
▸ MAPK1 P28482 1/20 1.00
▸ HTT P42858 3/20 0.70
▸ POLB P06746 2/20 0.70
▸ TP53 P04637 2/20 0.67
▸ GAA P10253 2/20 0.67
▸ MEN1 O00255 4/20 0.66
▸ KMT2A Q03164 4/20 0.66
▸ MAPT P10636 4/20 0.66
▸ SMN1; SMN2 Q16637 1/20 0.66
▸ RECQL P46063 1/20 0.66
▸ ABCB1 P08183 1/20 0.66
▸ RCE1 Q9Y256 1/20 0.55

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
Suksdorfin SCHEMBL15532093 0.96 KDM4E (1.00) KDM4EALDH1A1HPGDCYP3A4HSD17B10
SCHEMBL27823975 0.96 KDM4E (0.92) KDM4EALDH1A1HPGDCYP3A4HSD17B10
SCHEMBL29912933 0.90 KDM4E (0.84) KDM4EALDH1A1HPGDCYP3A4HSD17B10
SCHEMBL29650634 0.90 KDM4E (0.84) KDM4EALDH1A1HPGDCYP3A4HSD17B10
SCHEMBL31127004 0.89 KDM4E (0.83) KDM4EALDH1A1HPGDCYP3A4HSD17B10
SCHEMBL31237484 0.88 KDM4E (0.78) KDM4EALDH1A1HPGDCYP3A4HSD17B10
SCHEMBL31153360 0.87 KDM4E (0.76) KDM4EALDH1A1HPGDCYP3A4HSD17B10
Visnadine SCHEMBL309874 0.85 KDM4E (0.74) KDM4EALDH1A1HPGDCYP3A4HSD17B10
Visnadine SCHEMBL30640212 0.85 KDM4E (0.74) KDM4EALDH1A1HPGDCYP3A4HSD17B10
Visnadine SCHEMBL12710639 0.85 KDM4E (0.74) KDM4EALDH1A1HPGDCYP3A4HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8772252-B2 Coumarin compounds as melanogenesis modifiers and uses thereof NEW YORK UNIVERSITY (US) 2014-07-08 — — US disclosed
US-8772252-B2 Coumarin compounds as melanogenesis modifiers and uses thereof NEW YORK UNIVERSITY (US) 2014-07-08 — — US disclosed
US-8563754-B2 Compounds, compositions and methods for preventing skin darkening NEW YORK UNIVERSITY (US) 2013-10-22 — — US disclosed
US-8563754-B2 Compounds, compositions and methods for preventing skin darkening NEW YORK UNIVERSITY (US) 2013-10-22 — — US disclosed
US-20120220545-A1 COUMARIN COMPOUNDS AS MELANOGENESIS MODIFIERS AND USES THEREOF NEW YORK UNIVERSITY 2012-08-30 — — US disclosed
US-20120220545-A1 COUMARIN COMPOUNDS AS MELANOGENESIS MODIFIERS AND USES THEREOF NEW YORK UNIVERSITY 2012-08-30 — — US disclosed
WO-2011094016-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR PREVENTING SKIN DARKENING NEW YORK UNIVERSITY (US) 2011-08-04 — — WO disclosed
US-20110190229-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR PREVENTING SKIN DARKENING NEW YORK UNIVERSITY 2011-08-04 — — US disclosed
US-20110190229-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR PREVENTING SKIN DARKENING NEW YORK UNIVERSITY 2011-08-04 — — US disclosed
US-20100305068-A1 COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-12-02 — — US disclosed
US-20100305068-A1 COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-12-02 — — 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 (3 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-20100305068-A1 COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING GOLT1B, NPC1L1, NPC1 KDM4E 4209/4885ALDH1A1 3582/4885HPGD 4457/4885
US-20120220545-A1 COUMARIN COMPOUNDS AS MELANOGENESIS MODIFIERS AND USES THEREOF TYR, MC1R, MITF KDM4E 79/4885ALDH1A1 246/4885HPGD 2055/4885
US-20110190229-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR PREVENTING SKIN DARKENING TYR, MC1R, MITF KDM4E 274/4885ALDH1A1 397/4885HPGD 574/4885

“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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