SCHEMBL3602720

SCHEMBL3602720

O=C1CC(c2ccccc2)C(=O)N1Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.59
GAA P10253 3/20 0.59
HPGD P15428 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
STAT6 P42226 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.57
TSHR P16473 4/20 0.56
KMT2A Q03164 3/20 0.56
ALOX15 P16050 1/20 0.55
GSK3B P49841 2/20 0.54
HSD17B10 Q99714 1/20 0.54
MT-CO2 P00403 1/20 0.52
ALOX5 P09917 1/20 0.52
GSK3A P49840 1/20 0.51
POLB P06746 1/20 0.51
MEN1 O00255 1/20 0.50

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
SCHEMBL29158183 0.91 GPBAR1 (0.59) ALDH1A1GAAHPGDCYP1A2CYP3A4
SCHEMBL29158182 0.91 GPBAR1 (0.59) ALDH1A1GAAHPGDCYP1A2CYP3A4
SCHEMBL12640683 0.90 CYP19A1 (0.62) ALDH1A1GAAHPGDCYP1A2CYP3A4
SCHEMBL24126786 0.86 ALDH1A1 (0.49) ALDH1A1GAAHPGDCYP1A2CYP3A4
SCHEMBL41712 0.86 GSK3B (0.61) ALDH1A1GAASMN1; SMN2TSHRKMT2A
SCHEMBL18669017 0.83 KMT2A (0.49) ALDH1A1GAAHPGDCYP1A2CYP3A4
SCHEMBL24127246 0.82 KMT2A (0.50) ALDH1A1GAAHPGDCYP1A2CYP3A4
SCHEMBL11059283 0.81 KMT2A (0.57) ALDH1A1GAAHPGDCYP1A2CYP3A4
SCHEMBL16350192 0.81 TSHR (0.62) SMN1; SMN2TSHRKMT2AALOX15MEN1
SCHEMBL5969377 0.79 ALDH1A1 (0.50) ALDH1A1GAACYP1A2CYP2C9CYP2C19

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-20230227428-A1 AMIDO COMPOUNDS Anaxis Pharma Pty Ltd (AU) 2023-07-20 US disclosed
US-20230227428-A1 AMIDO COMPOUNDS Anaxis Pharma Pty Ltd (AU) 2023-07-20 US disclosed
US-20230227428-A1 AMIDO COMPOUNDS Anaxis Pharma Pty Ltd (AU) 2023-07-20 US disclosed
WO-2021253098-A1 AMIDO COMPOUNDS Anaxis Pharma Pty Ltd (AU) 2021-12-23 WO disclosed
WO-2021253098-A1 AMIDO COMPOUNDS Anaxis Pharma Pty Ltd (AU) 2021-12-23 WO disclosed
EP-1553074-B1 FUSED BENZENE DERIVATIVE AND USE TAKEDA PHARMACEUTICAL (JP) 2014-06-18 EP disclosed
US-7649001-B2 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-19 US disclosed
US-20060211724-A1 Hiv integrase inhibitors VERSCHUEREN GASTON W 2006-09-21 US disclosed
US-20060106067-A1 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-05-18 US disclosed
EP-1625130-A2 HIV INTEGRASE INHIBITORS Tibotec Pharmaceuticals Ltd. (IE) 2006-02-15 EP disclosed
EP-1553074-A1 FUSED BENZENE DERIVATIVE AND USE Takeda Pharmaceutical Company Limited (JP) 2005-07-13 EP disclosed
WO-2004096807-A2 HIV INTEGRASE INHIBITORS TIBOTEC PHARMACEUTICALS LTD. (IE) 2004-11-11 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 (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-20060106067-A1 Fused benzene derivative and use AR, NR5A1, CBR3 ALDH1A1 1763/4885GAA 4866/4885HPGD 1006/4885
US-20230227428-A1 AMIDO COMPOUNDS RIPK1, RIPK3, MLKL ALDH1A1 4812/4885GAA 2270/4885HPGD 2209/4885
US-20060211724-A1 Hiv integrase inhibitors SULT1A1, SULT2A1, SULT1E1 ALDH1A1 1124/4885GAA 3995/4885HPGD 347/4885

“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.