SCHEMBL10174602

SCHEMBL10174602

CCc1ccc(Cl)cc1C1=CCOC1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.37
MAOB P27338 4/20 0.35
TAAR1 Q96RJ0 1/20 0.35
S100A4 P26447 2/20 0.34
CTRC Q99895 1/20 0.34
CYP19A1 P11511 1/20 0.34
S1PR4 O95977 2/20 0.33
PPOX P50336 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRA6 Q16445 1/20 0.32
PTPN1 P18031 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL10174737 0.84 NQO1 (0.39) ADRA2AMAOBCYP19A1MAPTSMN1; SMN2
SCHEMBL30527907 0.70 CYP1A2 (0.38) MAOBS1PR4LMNAMAPTALDH1A1
SCHEMBL15959357 0.68 PTGDR2 (0.49) S100A4GABRA1GABRG2GABRB3GABRA5
SCHEMBL3782085 0.68 IDO1 (0.44) TAAR1CTRCLMNAMAPTHTT
SCHEMBL12653045 0.67 CSNK2A2 (0.49) ADRA2AS100A4S1PR4GABRA1GABRG2
SCHEMBL10299394 0.67 TOP2A (0.30)
SCHEMBL10174659 0.66 EGFR (0.41) LMNAMAPTSMN1; SMN2ALDH1A1POLB
SCHEMBL14389058 0.65 IDO1 (0.59) TAAR1CTRCLMNAMAPTHTT
SCHEMBL23419345 0.64 CACNA1B (0.38) MAOBTAAR1
SCHEMBL13264170 0.64

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-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-07-12 US disclosed
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-07-12 US disclosed
EP-1550662-B1 ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO (JP) 2012-07-04 EP disclosed
US-8148371-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-04-03 US disclosed
US-8148371-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-04-03 US disclosed
US-20100256118-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO.,LTD. (JP) 2010-10-07 US disclosed
US-20100256118-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO.,LTD. (JP) 2010-10-07 US disclosed
US-7754728-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-13 US disclosed
US-7754728-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-13 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 (2 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-20100256118-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, P2RY10, HRH4 ADRA2A 126/4885MAOB 1202/4885TAAR1 485/4885
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, HRH4, P2RY10 ADRA2A 113/4885MAOB 901/4885TAAR1 526/4885

“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.