SCHEMBL4132400

SCHEMBL4132400

C=CCc1c(NC(C)=O)ccc(C(C)=O)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 3/20 0.39
HSD17B10 Q99714 3/20 0.39
POLB P06746 3/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP2C19 P33261 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX15 P16050 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33

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
SCHEMBL10738814 0.90 KDM4E (0.43) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL2964830 0.87 SMN1; SMN2 (0.43) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL7527527 0.87 CYP3A4 (0.46) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL13596070 0.87 MEN1 (0.37) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL4121254 0.86 GABRA1 (0.37) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL4121257 0.86 GABRA1 (0.37) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL9303754 0.80 ALDH1A1 (0.48) GABRA1GABRB2ALDH1A1KDM4EMAPT
SCHEMBL31657717 0.80 ALDH1A1 (0.48) GABRA1GABRB2ALDH1A1KDM4EMAPT
SCHEMBL481043 0.79 PPARG (0.45) MAPTMEN1KMT2ACYP1A2CYP2C9
SCHEMBL8887655 0.77 KDM4E (0.42) GABRA1GABRA5GABRA3GABRA2GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090318690-A1 Benzisoxazole Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-12-24 US disclosed
US-20090318690-A1 Benzisoxazole Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-12-24 US disclosed
US-20090318690-A1 Benzisoxazole Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-12-24 US disclosed
EP-2017275-A1 BENZISOXAZOLE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2009-01-21 EP disclosed
EP-2017275-A1 BENZISOXAZOLE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2009-01-21 EP disclosed
US-7030245-B2 Antidepressant azahetorocyclylmethyl derivatives of 7,8-dihydro-6H-5-oxa-1-aza-phenathrene WYETH (US) 2006-04-18 US disclosed
US-20050228010-A1 Antidepressant azahetorocyclylmethyl derivatives of 7,8-dihydro-6H-5-oxa-1-aza-phenanthrene WYETH (US) 2005-10-13 US disclosed
US-6930109-B2 Antidepressant azaheterocyclyl methyl derivatives of 7,8-dihydro-6H-5-oxa-1-aza-phenanthrene WYETH (US) 2005-08-16 US disclosed
US-6903110-B2 Antidepressant azaheterocyclylmethyl derivatives of 7,8-dihydro-6H-5-oxa-1-aza-phenanthrene WYETH (US) 2005-06-07 US disclosed
US-20040235851-A1 Antidepressant azaheterocyclyl methyl derivatives of 7,8-dihydro-6H-5-oxa-1-aza-phenanthrene WYETH 2004-11-25 US disclosed
US-20030078268-A1 Antidepressant azaheterocyclylmethyl derivatives of 7,8-dihydro-6H-5-oxa-1-aza-phenanthrene WYETH (US) 2003-04-24 US disclosed
WO-2003010169-A1 ANTIDEPRESSANT AZAHETEROCYCLYLMETHYL DERIVATIVES OF 7, 8-DIHYDRO-6H-5-OXA-1-AZA-PHENANTHRENE WYETH (US) 2003-02-06 WO disclosed
US-4474787-A 7,6 Dioxo-4H,6H-pyrano[3,2-g]quinoline dicarboxylic acids and anti-allergic use thereof FISONS LIMITED (GB) 1984-10-02 US disclosed
US-4419352-A ANTIALLERGENS; ANTI SECRETORY AGENTS; MUCUS FISONS LIMITED (GB) 1983-12-06 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 (4 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-20030078268-A1 Antidepressant azaheterocyclylmethyl derivatives of 7,8-dihydro-6H-5-oxa-1-aza-phenanthrene TPH1, CYP19A1, HSD3B1 GABRA1 1324/4885GABRA5 855/4885GABRA3 1405/4885
US-20040235851-A1 Antidepressant azaheterocyclyl methyl derivatives of 7,8-dihydro-6H-5-oxa-1-aza-phenanthrene TPH1, CYP19A1, HSD3B1 GABRA1 1229/4885GABRA5 823/4885GABRA3 1338/4885
US-20090318690-A1 Benzisoxazole Compound NR1I2, NR1I3, NR0B1 GABRA1 7/4885GABRA5 14/4885GABRA3 17/4885
US-20050228010-A1 Antidepressant azahetorocyclylmethyl derivatives of 7,8-dihydro-6H-5-oxa-1-aza-phenanthrene HTR5A, TPH1, CYP19A1 GABRA1 1566/4885GABRA5 773/4885GABRA3 1324/4885

“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.