SCHEMBL3713301

SCHEMBL3713301

CC(C)=CC(=O)Nc1ccc(C)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.70
▸ RAB9A P51151 4/20 0.70
▸ SMN1; SMN2 Q16637 4/20 0.70
▸ TSHR P16473 1/20 0.70
▸ NFKB1 P19838 1/20 0.70
▸ NFKB2 Q00653 1/20 0.70
▸ RELA Q04206 1/20 0.70
▸ GAA P10253 1/20 0.70
▸ HTT P42858 1/20 0.70
▸ TGM2 P21980 1/20 0.63
▸ TDP1 Q9NUW8 1/20 0.61
▸ NMT1 P30419 1/20 0.59
▸ DDAH1 O94760 1/20 0.58
▸ MEN1 O00255 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ POLB P06746 1/20 0.53
▸ MMP1 P03956 2/20 0.53
▸ MMP2 P08253 2/20 0.53
▸ MMP9 P14780 2/20 0.53
▸ MAPT P10636 1/20 0.53

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
SCHEMBL10716420 0.85 TGM2 (0.59) NPC1RAB9ASMN1; SMN2TSHRNFKB1
SCHEMBL23918242 0.85 DDAH1 (0.64) NPC1RAB9ASMN1; SMN2TSHRNFKB1
SCHEMBL10716411 0.85 TGM2 (0.59) NPC1RAB9ASMN1; SMN2TSHRNFKB1
SCHEMBL10716405 0.85 TGM2 (0.59) NPC1RAB9ASMN1; SMN2TSHRNFKB1
SCHEMBL20284039 0.84 NPC1 (0.70) NPC1RAB9ASMN1; SMN2TSHRNFKB1
SCHEMBL17675351 0.82 SMN1; SMN2 (0.68) NPC1RAB9ASMN1; SMN2TSHRNFKB1
SCHEMBL11759969 0.82 SMN1; SMN2 (0.68) NPC1RAB9ASMN1; SMN2TSHRNFKB1
SCHEMBL2998577 0.82 SMN1; SMN2 (1.00) NPC1RAB9ASMN1; SMN2TSHRNFKB1
SCHEMBL4135335 0.82 NPC1 (1.00) NPC1RAB9ASMN1; SMN2TSHRNFKB1
SCHEMBL5645657 0.82 SMN1; SMN2 (0.68) NPC1RAB9ASMN1; SMN2TSHRNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11833203-B2 Synthetic retinoids (in cell modulation) UNIVERSITY OF DURHAM 2023-12-05 — — US disclosed
US-11771684-B2 Inhibitors of dihydroceramide desaturase for treating disease CENTAURUS THERAPEUTICS (US) 2023-10-03 — — US disclosed
US-11324825-B2 Synthetic retinoids (in cell modulation) UNIVERSITY OF DURHAM 2022-05-10 — — US disclosed
US-20190209684-A1 Synthetic Retinoids (in Cell Modulation) UNIVERSITY OF DURHAM (GB) 2019-07-11 — — US disclosed
US-20190209685-A1 SYNTHETIC RETINOIDS (IN CELL MODULATION) UNIVERSITY OF DURHAM (GB) 2019-07-11 — — US disclosed
WO-2018029473-A1 SYNTHETIC RETINOIDS (IN CELL MODULATION) UNIVERSITY OF DURHAM (GB) 2018-02-15 — — WO disclosed
US-8389511-B2 Bicyclic heterocyclic derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-03-05 — — US disclosed
US-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE DAINIPPON SUMITOMO PHARMA CO. 2011-08-04 — — US disclosed
WO-2010129467-A1 COMPOUNDS AND METHODS FOR INHIBITION OF RENIN, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2010-11-11 — — WO disclosed
WO-2010129467-A1 COMPOUNDS AND METHODS FOR INHIBITION OF RENIN, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2010-11-11 — — WO disclosed
EP-2243779-A1 BICYCLIC HETEROCYCLIC DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2010-10-27 — — EP disclosed
EP-1905762-A1 PYRAZOLONE DERIVATIVE Genecare Research Institute Co., Ltd (JP) 2008-04-02 — — 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 (6 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-11833203-B2 Synthetic retinoids (in cell modulation) RARA, RARB, RXRA NPC1 1449/4885RAB9A 848/4885SMN1; SMN2 2432/4885
US-11771684-B2 Inhibitors of dihydroceramide desaturase for treating disease CERS2, DEGS1, SMPD1 NPC1 59/4885RAB9A 952/4885SMN1; SMN2 588/4885
US-11324825-B2 Synthetic retinoids (in cell modulation) RARA, RARB, RXRA NPC1 1449/4885RAB9A 848/4885SMN1; SMN2 2432/4885
US-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE REN, AGTR1, AGTR2 NPC1 2018/4885RAB9A 418/4885SMN1; SMN2 4394/4885
US-20190209685-A1 SYNTHETIC RETINOIDS (IN CELL MODULATION) RARA, RARB, RXRA NPC1 1449/4885RAB9A 848/4885SMN1; SMN2 2432/4885
US-20190209684-A1 Synthetic Retinoids (in Cell Modulation) RARA, RARB, RXRA NPC1 1449/4885RAB9A 848/4885SMN1; SMN2 2432/4885

“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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